AGC_ROCK1 (Rho-associated protein kinase 1)

Total number of chains: 78
Active chains: 22
Uniprot: ROCK1_HUMAN
Kinase Domain Residues: 76 - 338
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 48 61.5% AF-Q13464-K1A
DFGin ABAminus 22 28.2% 5WNFA
DFGout None 3 3.8% 7S25B
DFGinter None 2 2.6% 3TWJB
DFGin BLBminus 1 1.3% 7S26C
DFGin None 1 1.3% 3TWJC
None None 1 1.3% 7S25D

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Gene PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ
DFG-Asp
φ,ψ
DFG-Phe
φ,ψ
DFG-Phe
χ1,χ2
DFG-Gly
φ,ψ
ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name
ROCK1 2V55A Q13464 6 404 1354.0 ANP:1480 ATPlike Active DFGin 5.8805 13.604 BLAminus -137.29, -177.31 60.22, 109.9 -132.74, 24.25 290.89, 71.12 -53.92, -52.21 in-in in 9.0764 Saltbr-in 2.7079 HRD-in -79.75, -71.28 93.49, -31.37 in-in-in SNCiii in-in ActLoopNT-in 3.2811 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -147.46, 139.75 APE9-dihe-na 103.51, 160.5 APE8-dihe-in -55.22, 144.8 APE8-rot-in 285.63 APE67-dihe-in -74.86, -38.79 -80.34, -13.24 APE12-dist-in 10.3243 APE11-dist-in 11.2781 APE10-dist-in 5.6467 APE9-dist-in 4.1313 None None None XRAY 3.705 0.238 0.269 A 406.0 393.0 0 29 29 0 [[76, 338]] 1.0 2v55 AGC_ROCK1_HUMAN AGC 3.3e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 2V55C Q13464 6 404 1354.0 ANP:1480 ATPlike Active DFGin 5.8838 13.6079 BLAminus -137.56, -177.44 62.15, 108.48 -130.26, 22.71 291.3, 72.92 -54.95, -50.69 in-in in 9.1112 Saltbr-in 2.7059 HRD-in -78.29, -71.79 95.11, -31.46 in-in-in SNCiii in-in ActLoopNT-in 3.2466 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -148.41, 139.12 APE9-dihe-na 103.28, 159.31 APE8-dihe-in -53.48, 142.5 APE8-rot-in 287.35 APE67-dihe-in -76.24, -37.92 -78.8, -11.99 APE12-dist-in 10.2795 APE11-dist-in 11.2692 APE10-dist-in 5.6233 APE9-dist-in 4.0966 None None None XRAY 3.705 0.238 0.269 C 406.0 396.0 0 29 29 0 [[76, 338]] 1.0 2v55 AGC_ROCK1_HUMAN AGC 3.3e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 AF-Q13464-K1A Q13464 68 346 1354.0 No_ligand No_ligand Active DFGin 6.0059 13.0664 BLAminus -137.66, -178.75 47.45, 69.34 -81.8, 16.56 305.27, 105.28 -65.56, -12.08 in-in in 8.5519 Saltbr-in 2.6238 HRD-in -74.85, -46.42 64.04, 4.32 in-in-in SNCiii in-in ActLoopNT-in 2.933 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.58, 160.73 APE9-dihe-na 98.63, 175.06 APE8-dihe-in -68.34, 133.89 APE8-rot-in 288.19 APE67-dihe-in -75.11, -22.05 -52.44, -39.16 APE12-dist-in 10.1589 APE11-dist-in 11.2599 APE10-dist-in 5.3929 APE9-dist-in 3.7256 None None None AF2 -1.0 1.0 1.0 A 279.0 279.0 0 29 29 0 [[76, 338]] 1.0 AF-Q13464-K1 AGC_ROCK1_HUMAN AGC 9.2e-95 322.5 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 AF-Q13464-K3A Q13464 68 346 1354.0 No_ligand No_ligand Active DFGin 5.8505 13.2708 BLAminus -137.07, 179.96 52.49, 70.51 -80.48, 13.64 307.69, 107.27 -65.8, -8.31 in-in in 8.8334 Saltbr-in 2.6833 HRD-in -84.07, -47.73 66.69, 2.67 in-in-in SNCiii in-in ActLoopNT-in 2.9689 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.35, 143.29 APE9-dihe-na 121.73, 178.17 APE8-dihe-in -80.88, 131.47 APE8-rot-in 300.07 APE67-dihe-in -72.64, -15.78 -48.59, -46.75 APE12-dist-in 10.8022 APE11-dist-in 11.6421 APE10-dist-in 5.8713 APE9-dist-in 3.2563 None None None AF2 -1.0 1.0 1.0 A 279.0 279.0 0 29 29 0 [[76, 338]] 1.0 AF-Q13464-K3 AGC_ROCK1_HUMAN AGC 9.2e-95 322.5 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 4W7PA Q13464 6 405 1354.0 3J7:501 Type1 Active DFGin 6.2588 12.9783 BLAminus -131.32, -179.69 55.02, 77.47 -91.49, 17.42 302.12, 101.71 -69.96, -11.88 in-in in 8.1822 Saltbr-in 2.5657 HRD-in -62.73, -47.54 67.38, -1.52 in-in-in SNCiii in-in ActLoopNT-in 3.0768 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -139.79, 138.22 APE9-dihe-na 110.79, -174.17 APE8-dihe-in -93.29, 129.06 APE8-rot-in 302.8 APE67-dihe-in -74.33, -31.52 -36.7, -38.86 APE12-dist-in 10.7312 APE11-dist-in 11.4617 APE10-dist-in 5.9518 APE9-dist-in 3.6742 None None None XRAY 2.8 0.208 0.246 A 411.0 388.0 6 29 29 0 [[76, 338]] 1.0 4w7p AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 4W7PB Q13464 6 401 1354.0 3J7:501 Type1 Active DFGin 6.1538 13.4355 BLAminus -133.96, 174.8 56.5, 83.88 -98.36, 33.02 302.17, 98.2 -70.04, -15.43 in-in in 8.2136 Saltbr-in 2.7259 HRD-in -62.94, -46.77 66.68, -0.73 in-in-in SNCiii in-in ActLoopNT-in 3.0944 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.83, 139.14 APE9-dihe-na 109.13, -172.67 APE8-dihe-in -92.68, 127.41 APE8-rot-in 302.74 APE67-dihe-in -74.45, -31.78 -35.08, -39.48 APE12-dist-in 10.707 APE11-dist-in 11.4081 APE10-dist-in 5.8831 APE9-dist-in 3.7029 None None None XRAY 2.8 0.208 0.246 B 411.0 387.0 6 29 29 0 [[76, 338]] 1.0 4w7p AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 4W7PC Q13464 6 401 1354.0 3J7:501 Type1 Active DFGin 6.2818 13.2559 BLAminus -124.31, 179.51 53.21, 87.62 -105.48, 23.02 305.5, 95.5 -67.24, -3.72 in-in in 8.2573 Saltbr-in 2.7974 HRD-in -62.84, -46.85 67.56, -2.48 in-in-in SNCiii in-in ActLoopNT-in 3.0897 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -138.95, 139.35 APE9-dihe-na 109.16, -174.28 APE8-dihe-in -91.11, 127.59 APE8-rot-in 304.22 APE67-dihe-in -73.68, -32.3 -37.14, -39.74 APE12-dist-in 10.7249 APE11-dist-in 11.5406 APE10-dist-in 6.024 APE9-dist-in 3.6753 None None None XRAY 2.8 0.208 0.246 C 411.0 383.0 7 29 29 0 [[76, 338]] 1.0 4w7p AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 4W7PD Q13464 6 403 1354.0 3J7:501 Type1 Active DFGin 6.3521 13.3209 BLAminus -140.19, -177.5 56.39, 77.39 -95.5, 16.8 300.98, 99.72 -61.76, -14.51 in-in in 8.2911 Saltbr-in 2.8359 HRD-in -63.87, -49.18 67.62, 4.17 in-in-in SNCiii in-in ActLoopNT-in 3.0978 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -138.12, 138.83 APE9-dihe-na 110.39, -175.06 APE8-dihe-in -91.75, 128.12 APE8-rot-in 303.98 APE67-dihe-in -75.08, -31.43 -35.22, -39.46 APE12-dist-in 10.6803 APE11-dist-in 11.4828 APE10-dist-in 5.9317 APE9-dist-in 3.7023 None None None XRAY 2.8 0.208 0.246 D 411.0 387.0 6 29 29 0 [[76, 338]] 1.0 4w7p AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 2ESMA Q13464 6 405 1354.0 M77:60416 Type1 Active DFGin 6.1046 13.6884 BLAminus -120.74, 175.27 52.57, 92.93 -113.78, 23.07 302.86, 94.18 -55.5, -15.7 in-in in 8.5841 Saltbr-in 2.7623 HRD-in -64.55, -47.39 72.73, -12.37 in-in-in SNCiii in-in ActLoopNT-in 3.3126 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.11, 156.73 APE9-dihe-na 129.25, -151.41 APE8-dihe-in -127.71, 135.99 APE8-rot-in 310.98 APE67-dihe-in -65.34, -28.12 -39.62, -57.01 APE12-dist-in 11.7242 APE11-dist-in 11.4531 APE10-dist-in 5.7771 APE9-dist-in 3.5346 None None None XRAY 3.2 0.245 0.269 A 415.0 400.0 0 29 29 0 [[76, 338]] 1.0 2esm AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 2ETKA Q13464 6 405 1354.0 HFS:60416 Type1 Active DFGin 6.0593 14.0965 BLAminus -116.57, 151.42 65.52, 106.25 -118.99, 38.28 303.23, 95.7 -62.53, -30.1 in-in in 9.0237 Saltbr-in 3.0869 HRD-in -67.16, -45.15 69.82, -9.8 in-in-in SNCiii in-in ActLoopNT-in 3.2241 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -134.46, 135.93 APE9-dihe-na 138.1, -153.58 APE8-dihe-in -121.49, 133.91 APE8-rot-in 318.16 APE67-dihe-in -78.08, -32.49 -44.0, -39.32 APE12-dist-in 11.8404 APE11-dist-in 11.5458 APE10-dist-in 5.8563 APE9-dist-in 3.7375 None None None XRAY 2.96 0.278 0.298 A 415.0 400.0 0 29 29 0 [[76, 338]] 1.0 2etk AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 2ETRA Q13464 6 405 1354.0 Y27:60416 Type1 Active DFGin 6.0233 14.0327 BLAminus -115.35, 151.29 66.22, 120.62 -135.54, 23.8 302.55, 92.69 -59.35, -26.34 in-in in 8.7862 Saltbr-in 2.7333 HRD-in -66.03, -45.85 73.19, -11.33 in-in-in SNCiii in-in ActLoopNT-in 3.0951 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -134.94, 135.12 APE9-dihe-na 138.18, -155.48 APE8-dihe-in -122.76, 133.42 APE8-rot-in 310.03 APE67-dihe-in -71.74, -29.22 -38.34, -50.83 APE12-dist-in 11.7477 APE11-dist-in 11.548 APE10-dist-in 5.8769 APE9-dist-in 3.7015 None None None XRAY 2.6 0.252 0.266 A 415.0 400.0 0 29 29 0 [[76, 338]] 1.0 2etr AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3D9VA Q13464 6 405 1354.0 H52:60416 Type1 Active DFGin 6.2015 14.2593 BLAminus -97.17, 154.71 64.91, 125.89 -137.95, 39.08 298.06, 99.68 -71.65, -6.65 in-in in 9.1774 Saltbr-in 3.1542 HRD-in -71.72, -45.61 70.74, -5.17 in-in-in SNCiii in-in ActLoopNT-in 3.2016 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -138.18, 131.07 APE9-dihe-na 140.68, -156.12 APE8-dihe-in -114.86, 135.68 APE8-rot-in 311.45 APE67-dihe-in -80.47, -37.33 -48.71, -38.59 APE12-dist-in 11.7457 APE11-dist-in 11.7759 APE10-dist-in 6.137 APE9-dist-in 3.7555 None None None XRAY 3.3 0.262 0.28 A 415.0 400.0 0 29 29 0 [[76, 338]] 1.0 3d9v AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 4YVCA Q13464 6 405 1354.0 4KH:60501 Type1 Active DFGin 5.8704 13.1138 BLAminus -131.73, 179.43 49.79, 78.91 -95.58, 35.98 309.76, 96.36 -52.74, -39.15 in-in in 8.4249 Saltbr-in 3.0266 HRD-in -62.91, -47.72 78.09, -4.27 in-in-in SNCiii in-in ActLoopNT-in 3.0631 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -141.16, 137.86 APE9-dihe-na 126.1, -158.78 APE8-dihe-in -106.17, 145.81 APE8-rot-in 290.0 APE67-dihe-in -72.07, -14.66 -55.89, -48.56 APE12-dist-in 11.644 APE11-dist-in 11.4144 APE10-dist-in 5.9155 APE9-dist-in 3.809 None None None XRAY 3.2 0.193 0.221 A 415.0 388.0 5 29 29 0 [[76, 338]] 1.0 4yvc AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 4YVEA Q13464 6 405 1354.0 4KK:60501 Type1 Active DFGin 5.6208 12.8068 BLAminus -135.63, 174.2 57.57, 62.47 -84.06, 54.44 321.53, 81.4 -64.54, -38.78 in-in in 8.3923 Saltbr-in 2.8393 HRD-in -66.81, -33.75 61.05, -11.49 in-in-in SNCiii in-in ActLoopNT-in 2.8908 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.37, 139.44 APE9-dihe-na 133.32, -156.65 APE8-dihe-in -109.47, 141.28 APE8-rot-in 300.76 APE67-dihe-in -87.71, -40.47 -52.3, -33.35 APE12-dist-in 11.916 APE11-dist-in 11.5401 APE10-dist-in 6.0064 APE9-dist-in 3.8404 None None None XRAY 3.4 0.219 0.244 A 415.0 390.0 4 29 29 0 [[76, 338]] 1.0 4yve AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5BMLA Q13464 6 405 1354.0 4TW:60501 Type1 Active DFGin 6.1658 13.1148 BLAminus -136.45, -178.03 52.19, 80.38 -99.05, 18.0 302.5, 105.79 -59.89, -6.36 in-in in 8.1726 Saltbr-in 2.7611 HRD-in -66.74, -49.49 70.73, -5.79 in-in-in SNCiii in-in ActLoopNT-in 2.9224 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -146.01, 144.84 APE9-dihe-na 123.64, -151.58 APE8-dihe-in -116.7, 138.56 APE8-rot-in 292.02 APE67-dihe-in -71.41, -43.61 -45.01, -45.51 APE12-dist-in 12.1713 APE11-dist-in 11.5202 APE10-dist-in 6.0466 APE9-dist-in 3.7485 None None None XRAY 2.95 0.207 0.235 A 415.0 393.0 2 29 29 0 [[76, 338]] 1.0 5bml AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5KKSA Q13464 6 405 1354.0 6U1:60501 Type1 Active DFGin 6.1858 13.3524 BLAminus -142.64, 177.27 59.6, 62.04 -81.65, 21.26 304.3, 101.28 -54.79, -41.15 in-in in 8.259 Saltbr-in 2.7539 HRD-in -54.42, -38.35 63.96, -11.55 in-in-in SNCiii in-in ActLoopNT-in 3.0779 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -141.2, 147.03 APE9-dihe-na 120.6, -151.04 APE8-dihe-in -115.4, 140.07 APE8-rot-in 299.71 APE67-dihe-in -59.58, -43.85 -44.15, -59.93 APE12-dist-in 11.8871 APE11-dist-in 11.441 APE10-dist-in 5.829 APE9-dist-in 3.7483 None None None XRAY 3.3 0.215 0.254 A 415.0 395.0 0 29 29 0 [[76, 338]] 1.0 5kks AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5KKTA Q13464 6 405 1354.0 6U2:60501 Type1 Active DFGin 6.3353 13.5854 BLAminus -128.59, -176.48 50.52, 79.42 -95.97, 17.69 299.29, 99.89 -62.82, -14.55 in-in in 8.893 Saltbr-in 2.7725 HRD-in -67.63, -48.61 71.19, -4.25 in-in-in SNCiii in-in ActLoopNT-in 3.0473 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -145.03, 142.19 APE9-dihe-na 128.21, -142.04 APE8-dihe-in -128.93, 139.4 APE8-rot-in 303.92 APE67-dihe-in -73.59, -33.97 -48.22, -44.35 APE12-dist-in 11.474 APE11-dist-in 11.6748 APE10-dist-in 6.1732 APE9-dist-in 3.6061 None None None XRAY 2.8 0.223 0.237 A 415.0 389.0 4 29 29 0 [[76, 338]] 1.0 5kkt AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5UZJA Q13464 6 405 1354.0 8UV:60501 Type1 Active DFGin 6.1695 13.1005 BLAminus -139.82, 174.8 51.53, 74.94 -94.18, 44.21 303.79, 97.11 -58.95, -59.6 in-in in 8.6396 Saltbr-in 2.7936 HRD-in -71.22, -41.37 70.75, -24.52 in-in-in SNCiii in-in ActLoopNT-in 3.0257 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -145.33, 135.82 APE9-dihe-na 134.09, -159.86 APE8-dihe-in -104.52, 140.59 APE8-rot-in 298.4 APE67-dihe-in -92.6, -25.3 -52.4, -27.33 APE12-dist-in 11.9065 APE11-dist-in 11.5034 APE10-dist-in 5.9924 APE9-dist-in 4.0306 None None None XRAY 3.3 0.202 0.241 A 415.0 387.0 8 29 29 0 [[76, 338]] 1.0 5uzj AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5HVUA Q13464 6 405 1354.0 65R:60501 Type1.5_Front Active DFGin 6.0644 13.0084 BLAminus -144.77, -177.33 55.22, 80.15 -106.17, 33.13 305.29, 103.88 -64.0, -11.53 in-in in 8.4027 Saltbr-in 2.9187 HRD-in -68.11, -52.8 76.77, -16.02 in-in-in SNCiii in-in ActLoopNT-in 2.996 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.34, 135.58 APE9-dihe-na 137.6, -151.11 APE8-dihe-in -124.0, 136.06 APE8-rot-in 298.85 APE67-dihe-in -72.28, -36.35 -46.39, -41.26 APE12-dist-in 12.0216 APE11-dist-in 11.4681 APE10-dist-in 5.929 APE9-dist-in 3.8859 None None None XRAY 2.8 0.239 0.248 A 415.0 394.0 0 29 29 0 [[76, 338]] 1.0 5hvu AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5WNEA Q13464 14 400 1354.0 B4J:60501 Type1.5_Front Active DFGin 6.2249 13.5671 BLAminus -135.0, 175.35 53.04, 84.77 -102.97, 28.35 302.63, 101.99 -70.63, -10.88 in-in in 8.9515 Saltbr-in 2.8119 HRD-in -65.73, -50.65 71.21, -5.22 in-in-in SNCiii in-in ActLoopNT-in 2.9666 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.88, 137.37 APE9-dihe-na 126.73, -152.59 APE8-dihe-in -112.81, 138.1 APE8-rot-in 304.24 APE67-dihe-in -78.8, -30.66 -52.66, -36.48 APE12-dist-in 10.9845 APE11-dist-in 11.5429 APE10-dist-in 5.8817 APE9-dist-in 3.725 None None None XRAY 2.6 0.229 0.246 A 415.0 384.0 0 29 29 0 [[76, 338]] 1.0 5wne AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5WNEC Q13464 6 402 1354.0 B4J:60900 Type1.5_Front Active DFGin 6.226 13.3122 BLAminus -141.6, 173.01 60.67, 84.57 -108.59, 26.04 304.33, 107.59 -71.96, -9.2 in-in in 8.5563 Saltbr-in 2.8148 HRD-in -53.88, -50.49 68.34, -4.44 in-in-in SNCiii in-in ActLoopNT-in 3.3237 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.23, 131.39 APE9-dihe-na 141.47, -150.22 APE8-dihe-in -114.01, 135.26 APE8-rot-in 304.1 APE67-dihe-in -79.17, -28.35 -50.74, -38.29 APE12-dist-in 10.7791 APE11-dist-in 11.5888 APE10-dist-in 5.7354 APE9-dist-in 3.8217 None None None XRAY 2.6 0.229 0.246 C 415.0 382.0 9 29 29 0 [[76, 338]] 1.0 5wne AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5WNED Q13464 7 402 1354.0 B4J:60900 Type1.5_Front Active DFGin 6.1094 13.3805 BLAminus -136.38, 179.68 48.06, 76.76 -93.24, 35.49 302.92, 95.86 -65.45, -20.45 in-in in 8.4868 Saltbr-in 2.7853 HRD-in -58.19, -50.71 67.27, -4.18 in-in-in SNCiii in-in ActLoopNT-in 3.2218 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -135.61, 140.56 APE9-dihe-na 127.23, -150.56 APE8-dihe-in -113.66, 136.6 APE8-rot-in 304.03 APE67-dihe-in -77.29, -31.2 -52.52, -36.89 APE12-dist-in 10.389 APE11-dist-in 11.4346 APE10-dist-in 5.7778 APE9-dist-in 3.8342 None None None XRAY 2.6 0.229 0.246 D 415.0 396.0 0 29 29 0 [[76, 338]] 1.0 5wne AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3NDMA Q13464 6 402 1354.0 No_ligand No_ligand Inactive DFGin 5.5977 13.0577 ABAminus -120.89, -34.04 -109.2, 148.34 -142.38, 4.69 304.49, 84.24 -63.88, 57.85 in-out in 9.0757 Saltbr-out 3.7634 HRD-in -57.38, -56.5 79.4, 26.69 out-in-in SNCoii in-in ActLoopNT-in 3.1567 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.05, 156.15 APE9-dihe-na 131.42, -138.04 APE8-dihe-in -125.51, 139.35 APE8-rot-in 275.81 APE67-dihe-in -57.52, -0.48 -48.9, -63.05 APE12-dist-in 10.485 APE11-dist-in 11.1706 APE10-dist-in 5.5088 APE9-dist-in 4.0035 None None None XRAY 3.3 0.244 0.31 A 415.0 382.0 11 29 29 0 [[76, 338]] 1.0 3ndm AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3NCZA Q13464 6 402 1354.0 3NC:60900 Type1 Inactive DFGin 6.3351 13.7746 ABAminus -116.14, -12.55 -138.55, 134.31 -126.47, 14.42 296.82, 87.82 -51.46, -39.63 in-in in 9.3064 Saltbr-in 3.5369 HRD-in -78.05, -50.28 73.4, -14.49 in-in-in SNCiii in-in ActLoopNT-in 3.1611 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -112.89, -176.36 APE9-dihe-na 133.28, -167.86 APE8-dihe-in -125.48, 134.73 APE8-rot-in 280.08 APE67-dihe-in -84.68, -47.89 -24.91, -55.61 APE12-dist-in 12.5948 APE11-dist-in 10.0721 APE10-dist-in 5.4476 APE9-dist-in 3.5513 None None None XRAY 3.0 0.259 0.328 A 415.0 397.0 0 29 29 0 [[76, 338]] 1.0 3ncz AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3NCZB Q13464 6 402 1354.0 3NC:60900 Type1 Inactive DFGin 6.1679 13.4387 ABAminus -114.85, -16.66 -131.56, 138.9 -136.04, 17.21 298.24, 65.97 -58.26, -38.43 in-in in 9.3127 Saltbr-in 2.4923 HRD-in -79.75, -44.81 74.12, -17.68 in-in-out SNCiio in-out ActLoopNT-in 2.9695 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoi APE10-dihe-na 999.0, -112.01 APE9-dihe-na -175.97, -67.78 APE8-dihe-in -149.88, 165.72 APE8-rot-out 209.54 APE67-dihe-in -50.79, -11.63 -86.98, -72.6 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 10.1427 APE9-dist-in 4.9766 None None None XRAY 3.0 0.259 0.328 B 415.0 377.0 15 29 27 2 [[76, 338]] 1.0 3ncz AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3NCZC Q13464 6 404 1354.0 3NC:60900 Type1 Inactive DFGin 5.957 13.3497 ABAminus -116.08, -7.73 -136.42, 136.67 -131.83, 24.74 306.96, 86.44 -58.54, -34.95 in-in in 9.2231 Saltbr-in 3.4913 HRD-in -83.49, -46.62 73.83, -20.27 in-in-in SNCiii in-in ActLoopNT-in 3.156 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -84.05, 125.19 APE9-dihe-na 160.07, -158.87 APE8-dihe-in -144.7, 128.84 APE8-rot-in 311.05 APE67-dihe-in -25.99, -52.32 -21.36, -99.97 APE12-dist-in 10.1876 APE11-dist-in 11.672 APE10-dist-in 5.7284 APE9-dist-in 3.5946 None None None XRAY 3.0 0.259 0.328 C 415.0 387.0 6 29 28 1 [[76, 338]] 1.0 3ncz AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3NCZD Q13464 6 402 1354.0 3NC:60900 Type1 Inactive DFGin 6.0074 13.3983 ABAminus -130.28, 7.59 -144.4, 127.27 -129.17, 19.34 304.27, 91.75 -57.04, -39.11 in-in in 9.2145 Saltbr-in 3.5626 HRD-in -74.16, -50.68 74.64, -10.85 in-in-in SNCiii in-in ActLoopNT-in 2.982 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -141.26, 158.97 APE9-dihe-na 125.95, -146.31 APE8-dihe-in -122.54, 128.42 APE8-rot-in 314.26 APE67-dihe-in -57.68, -28.69 -36.8, -72.93 APE12-dist-in 12.3984 APE11-dist-in 11.2691 APE10-dist-in 6.3433 APE9-dist-in 4.4138 None None None XRAY 3.0 0.259 0.328 D 415.0 397.0 0 29 29 0 [[76, 338]] 1.0 3ncz AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3NDMB Q13464 7 402 1354.0 3ND:60900 Type1 Inactive DFGin 5.5765 13.2915 ABAminus -135.55, -20.22 -111.5, 137.71 -126.94, 16.16 300.9, 101.92 -51.55, 28.77 in-in in 9.0542 Saltbr-in 3.1387 HRD-in -67.67, -67.76 85.4, 21.53 in-in-out SNCiio in-out ActLoopNT-in 2.7955 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -145.13, 142.73 APE9-dihe-na 132.91, -126.28 APE8-dihe-in -146.05, 131.58 APE8-rot-out 3.64 APE67-dihe-in -75.87, -9.86 -31.39, -53.34 APE12-dist-in 10.7059 APE11-dist-in 11.0971 APE10-dist-in 5.4913 APE9-dist-in 3.7819 None None None XRAY 3.3 0.244 0.31 B 415.0 396.0 0 29 29 0 [[76, 338]] 1.0 3ndm AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3NDMC Q13464 6 402 1354.0 3ND:60900 Type1 Inactive DFGin 5.9921 13.6351 ABAminus -126.83, -28.62 -112.07, 139.0 -136.27, 9.02 298.66, 85.88 -64.37, 58.3 in-in in 9.0951 Saltbr-in 2.6058 HRD-in -61.33, -59.76 82.3, 14.91 in-in-none SNCiin in-none ActLoopNT-in 2.9786 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 133.83 APE8-rot-in 289.24 APE67-dihe-in -57.51, 0.5 -55.13, -56.25 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 3.3 0.244 0.31 C 415.0 370.0 27 29 24 5 [[76, 338]] 1.0 3ndm AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3NDMD Q13464 7 402 1354.0 3ND:60900 Type1 Inactive DFGin 5.558 12.9152 ABAminus -131.86, -23.53 -116.86, 142.93 -139.56, 15.34 308.38, 98.2 -65.61, 50.23 in-in in 8.8971 Saltbr-in 3.2923 HRD-in -62.78, -65.01 82.89, 25.17 in-in-in SNCiii in-in ActLoopNT-in 2.9255 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.27, 144.78 APE9-dihe-na 137.32, -133.95 APE8-dihe-in -135.6, 138.94 APE8-rot-in 312.66 APE67-dihe-in -58.83, -6.42 -51.7, -57.53 APE12-dist-in 10.7261 APE11-dist-in 11.1225 APE10-dist-in 5.5252 APE9-dist-in 3.9665 None None None XRAY 3.3 0.244 0.31 D 415.0 396.0 0 29 29 0 [[76, 338]] 1.0 3ndm AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5WNFA Q13464 7 401 1354.0 B4V:60501 Type1 Inactive DFGin 6.037 13.8193 ABAminus -112.9, -18.08 -125.42, 134.15 -136.13, 27.61 308.44, 98.66 -67.13, -15.25 in-in in 9.2481 Saltbr-in 2.8496 HRD-in -71.62, -55.08 69.7, 8.34 in-in-out SNCiio in-out ActLoopNT-in 2.9829 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -130.82, 159.62 APE9-dihe-na 114.62, -153.36 APE8-dihe-in -121.99, 142.9 APE8-rot-out 46.24 APE67-dihe-in -85.9, -24.36 -50.23, -33.75 APE12-dist-in 10.8456 APE11-dist-in 11.24 APE10-dist-in 5.3801 APE9-dist-in 3.4882 None None None XRAY 2.45 0.237 0.247 A 415.0 395.0 0 29 29 0 [[76, 338]] 1.0 5wnf AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5WNFB Q13464 6 402 1354.0 B4V:60900 Type1 Inactive DFGin 6.0096 13.809 ABAminus -112.8, -19.42 -121.66, 133.79 -135.75, 27.87 308.04, 98.76 -66.99, -15.52 in-in in 9.2034 Saltbr-in 2.8294 HRD-in -56.58, -57.45 66.78, 9.49 in-in-out SNCiio in-out ActLoopNT-in 3.0197 ActLoopCT-out nonTYR APEdihe_aanoo APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -30.62 APE8-rot-out 185.84 APE67-dihe-out -96.25, -5.58 -76.73, 157.96 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.45 0.237 0.247 B 415.0 357.0 30 29 22 7 [[76, 338]] 1.0 5wnf AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5WNFC Q13464 6 402 1354.0 B4V:60900 Type1 Inactive DFGin 6.0529 13.7343 ABAminus -112.34, -18.7 -124.86, 134.18 -135.55, 28.39 308.28, 99.0 -66.12, -17.35 in-in in 9.1673 Saltbr-in 2.825 HRD-in -54.29, -57.6 67.49, 9.1 in-in-out SNCiio in-out ActLoopNT-in 3.1133 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -125.13, 155.5 APE9-dihe-na 100.24, 173.54 APE8-dihe-in -65.25, 143.72 APE8-rot-out 166.74 APE67-dihe-in -84.72, -32.31 -63.88, -30.83 APE12-dist-in 10.8664 APE11-dist-in 11.263 APE10-dist-in 5.3953 APE9-dist-in 3.7108 None None None XRAY 2.45 0.237 0.247 C 415.0 384.0 9 29 29 0 [[76, 338]] 1.0 5wnf AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5WNFD Q13464 7 402 1354.0 B4V:60900 Type1 Inactive DFGin 5.998 13.798 ABAminus -116.97, -16.71 -124.97, 134.65 -136.46, 28.19 307.91, 98.81 -65.17, -16.17 in-in in 9.2716 Saltbr-in 2.8528 HRD-in -65.28, -52.76 63.38, 9.16 in-in-in SNCiii in-in ActLoopNT-in 3.1289 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.89, 153.13 APE9-dihe-na 122.32, -150.94 APE8-dihe-in -121.83, 134.39 APE8-rot-in 304.55 APE67-dihe-in -67.21, -32.35 -51.49, -41.1 APE12-dist-in 10.448 APE11-dist-in 11.4061 APE10-dist-in 5.4979 APE9-dist-in 3.7705 None None None XRAY 2.45 0.237 0.247 D 415.0 396.0 0 29 29 0 [[76, 338]] 1.0 5wnf AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5WNGA Q13464 7 401 1354.0 B4Y:60900 Type1 Inactive DFGin 5.9773 13.5094 ABAminus -104.78, -47.26 -102.37, 133.32 -128.78, 19.38 307.6, 97.01 -57.06, -32.21 in-in in 8.8894 Saltbr-in 2.7864 HRD-in -66.26, -51.49 72.53, -8.5 in-in-out SNCiio in-out ActLoopNT-in 3.0648 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -132.53, 147.93 APE9-dihe-na 135.56, -145.58 APE8-dihe-in -132.84, 135.01 APE8-rot-out 33.77 APE67-dihe-in -86.48, -37.64 -34.31, -39.64 APE12-dist-in 11.0608 APE11-dist-in 11.3702 APE10-dist-in 5.558 APE9-dist-in 3.7032 None None None XRAY 2.9 0.231 0.25 A 415.0 395.0 0 29 29 0 [[76, 338]] 1.0 5wng AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5WNGB Q13464 6 402 1354.0 B4Y:60900 Type1 Inactive DFGin 6.1152 13.6737 ABAminus -116.66, -65.65 -74.59, 116.95 -121.4, 25.51 300.62, 111.42 -66.75, -32.14 in-in in 8.6304 Saltbr-in 2.8156 HRD-in -60.46, -50.75 69.34, -5.89 in-in-out SNCiio in-out ActLoopNT-in 2.9735 ActLoopCT-out nonTYR APEdihe_aanoo APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -49.6 APE8-rot-out 38.45 APE67-dihe-out -117.81, -1.71 -74.02, 169.26 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.9 0.231 0.25 B 415.0 364.0 23 29 22 7 [[76, 338]] 1.0 5wng AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5WNGC Q13464 6 402 1354.0 B4Y:60900 Type1 Inactive DFGin 6.2504 13.6991 ABAminus -112.13, -65.71 -71.21, 131.58 -134.73, 15.31 296.94, 115.81 -61.29, -33.48 in-in in 8.7452 Saltbr-in 2.9023 HRD-in -54.07, -49.11 68.03, -4.17 in-in-out SNCiio in-out ActLoopNT-in 3.2537 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -134.49, 151.91 APE9-dihe-na 125.81, -139.62 APE8-dihe-in -129.94, 140.76 APE8-rot-out 193.11 APE67-dihe-in -90.91, -38.38 -54.59, -19.55 APE12-dist-in 12.0255 APE11-dist-in 11.3311 APE10-dist-in 5.5058 APE9-dist-in 3.7805 None None None XRAY 2.9 0.231 0.25 C 415.0 385.0 9 29 29 0 [[76, 338]] 1.0 5wng AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5WNGD Q13464 7 402 1354.0 B4Y:60900 Type1 Inactive DFGin 5.9664 13.6482 ABAminus -112.91, -68.51 -77.11, 128.39 -125.32, 34.85 304.06, 106.91 -57.33, -48.7 in-in in 8.5818 Saltbr-in 2.8349 HRD-in -67.41, -43.54 61.42, -5.48 in-in-in SNCiii in-in ActLoopNT-in 3.0591 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.21, 150.67 APE9-dihe-na 129.52, -151.03 APE8-dihe-in -111.91, 139.64 APE8-rot-in 301.32 APE67-dihe-in -86.26, -34.21 -63.2, -20.63 APE12-dist-in 10.285 APE11-dist-in 11.0376 APE10-dist-in 5.1987 APE9-dist-in 3.7829 None None None XRAY 2.9 0.231 0.25 D 415.0 396.0 0 29 29 0 [[76, 338]] 1.0 5wng AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5WNHA Q13464 6 401 1354.0 B5G:60900 Type1 Inactive DFGin 6.2538 14.0842 ABAminus -126.85, -43.1 -92.25, 105.27 -105.51, 23.43 302.78, 98.53 -79.59, -3.09 in-in in 9.245 Saltbr-in 2.7983 HRD-in -66.14, -40.5 59.01, 4.04 in-in-in SNCiii in-in ActLoopNT-in 3.055 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -134.68, 140.18 APE9-dihe-na 145.92, -147.99 APE8-dihe-in -117.87, 133.55 APE8-rot-in 336.48 APE67-dihe-in -88.84, -32.74 -46.05, -33.53 APE12-dist-in 10.9974 APE11-dist-in 11.6452 APE10-dist-in 5.8257 APE9-dist-in 3.5691 None None None XRAY 3.1 0.227 0.234 A 415.0 394.0 0 29 29 0 [[76, 338]] 1.0 5wnh AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5WNHB Q13464 6 402 1354.0 B5G:60900 Type1 Inactive DFGin 6.1436 13.7802 ABAminus -129.47, -54.81 -79.68, 115.69 -121.99, 26.51 302.73, 109.7 -73.56, -13.31 in-in in 8.7049 Saltbr-in 2.8214 HRD-in -59.34, -49.1 69.57, -2.06 in-in-out SNCiio in-out ActLoopNT-in 3.304 ActLoopCT-out nonTYR APEdihe_aanio APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -48.34 APE8-rot-in 317.54 APE67-dihe-out -81.13, -17.85 -72.96, 161.08 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 3.1 0.227 0.234 B 415.0 364.0 27 29 22 7 [[76, 338]] 1.0 5wnh AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5WNHC Q13464 6 402 1354.0 B5G:60900 Type1 Inactive DFGin 6.1935 13.4672 ABAminus -129.17, -51.51 -79.99, 119.08 -126.12, 27.06 305.6, 119.19 -74.43, -19.79 in-in in 8.7563 Saltbr-in 2.8158 HRD-in -53.22, -44.09 64.75, -1.56 in-in-out SNCiio in-out ActLoopNT-in 3.3339 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -102.33, 164.22 APE9-dihe-na 88.42, -167.51 APE8-dihe-in -97.64, 151.48 APE8-rot-out 44.44 APE67-dihe-in -84.21, -19.91 -62.02, -38.65 APE12-dist-in 10.4087 APE11-dist-in 11.5939 APE10-dist-in 5.5129 APE9-dist-in 4.1566 None None None XRAY 3.1 0.227 0.234 C 415.0 386.0 9 29 29 0 [[76, 338]] 1.0 5wnh AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5WNHD Q13464 6 402 1354.0 B5G:60900 Type1 Inactive DFGin 5.9608 13.8468 ABAminus -129.74, -51.1 -87.04, 108.6 -110.61, 24.81 306.94, 102.01 -68.9, -6.61 in-in in 8.7893 Saltbr-in 2.8147 HRD-in -59.28, -47.58 67.24, -1.66 in-in-in SNCiii in-in ActLoopNT-in 3.2611 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.57, 150.52 APE9-dihe-na 117.79, -157.18 APE8-dihe-in -100.56, 138.22 APE8-rot-in 307.58 APE67-dihe-in -71.46, -24.96 -63.42, -32.46 APE12-dist-in 10.6366 APE11-dist-in 11.1822 APE10-dist-in 5.3254 APE9-dist-in 4.1717 None None None XRAY 3.1 0.227 0.234 D 415.0 397.0 0 29 29 0 [[76, 338]] 1.0 5wnh AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 6E9WA Q13464 9 404 1354.0 J0P:501 Type1 Inactive DFGin 5.9399 12.9073 ABAminus -138.73, -20.79 -111.43, 114.1 -109.17, 19.11 307.72, 100.2 -59.06, -19.52 in-in in 8.7399 Saltbr-in 2.8039 HRD-in -69.49, -44.89 71.41, -17.92 in-in-in SNCiii in-in ActLoopNT-in 3.0534 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.98, 148.51 APE9-dihe-na 125.0, -143.28 APE8-dihe-in -119.0, 136.17 APE8-rot-in 293.48 APE67-dihe-in -80.63, -46.93 -50.48, -33.35 APE12-dist-in 11.4614 APE11-dist-in 11.3244 APE10-dist-in 5.6173 APE9-dist-in 4.16 None None None XRAY 2.96 0.197 0.255 A 443.0 383.0 5 29 29 0 [[76, 338]] 1.0 6e9w AGC_ROCK1_HUMAN AGC 4.2e-94 320.5 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 6E9WB Q13464 7 401 1354.0 J0P:501 Type1 Inactive DFGin 6.1308 13.2322 ABAminus -138.25, -17.0 -112.71, 103.23 -100.64, 12.5 302.93, 104.22 -62.68, -19.69 in-in in 8.5718 Saltbr-in 2.8586 HRD-in -74.05, -53.13 88.59, -33.91 in-in-out SNCiio in-out ActLoopNT-in 3.0303 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioo APE10-dihe-na -80.59, -50.75 APE9-dihe-na 100.48, -142.0 APE8-dihe-in -66.64, 110.65 APE8-rot-in 303.29 APE67-dihe-in -27.98, -53.24 -75.85, -16.15 APE12-dist-in 9.3672 APE11-dist-in 11.627 APE10-dist-out 9.9117 APE9-dist-out 10.033 None None None XRAY 2.96 0.197 0.255 B 443.0 380.0 9 29 29 0 [[76, 338]] 1.0 6e9w AGC_ROCK1_HUMAN AGC 4.2e-94 320.5 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 7S26D Q13464 6 399 1354.0 No_ligand No_ligand Inactive DFGin 5.7405 13.3927 BLAminus -135.63, 169.88 65.28, 102.89 -126.18, 46.78 310.06, 94.0 -59.95, -48.52 in-in in 8.6087 Saltbr-in 2.7125 HRD-out -94.12, 104.52 -83.22, 26.33 in-in-none SNCiin in-none ActLoopNT-in 3.2242 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 999.0, 999.0 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.744 0.247 0.269 D 398.0 256.0 101 29 6 23 [[76, 338]] 1.0 7s26 AGC_ROCK1_HUMAN AGC 3.1e-94 320.9 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 8ZH5A Q13464 6 402 1354.0 No_ligand No_ligand Inactive DFGin 6.2008 13.8119 BLAminus -163.2, 177.92 63.74, 56.57 -85.06, 72.84 297.86, 127.64 -89.2, 164.53 in-in in 8.8827 Saltbr-in 3.084 HRD-out -68.24, 147.42 -129.11, 149.32 in-in-none SNCiin in-none ActLoopNT-in 3.1109 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -101.61, -8.47 999.0, -57.9 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 3.7 0.211 0.26 A 414.0 381.0 16 29 24 5 [[76, 338]] 1.0 8zh5 AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 7S26A Q13464 6 401 1354.0 86K:60502 Type1 Inactive DFGin 6.0727 13.2538 BLAminus -148.44, 169.09 78.33, 71.17 -104.66, 28.05 312.23, 117.85 -62.26, -27.27 in-in in 8.5126 Saltbr-in 2.7426 HRD-in -60.15, -37.69 63.03, -7.84 in-in-out SNCiio in-out ActLoopNT-in 3.1636 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 146.5 APE8-rot-out 189.11 APE67-dihe-in -62.34, -32.49 -61.49, -27.14 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.744 0.247 0.269 A 398.0 387.0 9 29 23 6 [[76, 338]] 1.0 7s26 AGC_ROCK1_HUMAN AGC 3.1e-94 320.9 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3TV7A Q13464 9 402 1354.0 07Q:1 Type1 Inactive DFGin 6.1406 13.4622 BLAminus -126.35, -171.09 45.97, 69.47 -88.78, 8.65 301.41, 82.65 -54.6, -19.4 in-in in 8.7491 Saltbr-in 2.5658 HRD-out -65.46, -38.18 49.28, -142.26 in-in-out SNCiio in-out ActLoopNT-in 2.7702 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iiio APE10-dihe-na -117.48, 157.83 APE9-dihe-na -63.36, -178.67 APE8-dihe-out 60.06, 84.52 APE8-rot-out 58.98 APE67-dihe-in -61.64, -35.43 -43.45, -41.95 APE12-dist-in 11.2393 APE11-dist-in 11.898 APE10-dist-in 6.0244 APE9-dist-out 8.3764 None None None XRAY 2.75 0.205 0.253 A 410.0 394.0 0 29 29 0 [[76, 338]] 1.0 3tv7 AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3TV7B Q13464 6 402 1354.0 07Q:2 Type1 Inactive DFGin 5.8574 13.2 BLAminus -126.47, -172.51 48.84, 75.23 -91.42, 11.14 311.64, 99.6 -51.14, -22.86 in-in in 8.6012 Saltbr-in 2.8316 HRD-in -67.51, -48.56 77.38, -23.22 in-in-out SNCiio in-out ActLoopNT-in 2.796 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oioo APE10-dihe-na -129.19, 116.98 APE9-dihe-na -63.15, 117.97 APE8-dihe-out 61.18, 138.65 APE8-rot-out 58.98 APE67-dihe-in -71.45, -48.06 -97.86, 39.1 APE12-dist-out 6.2956 APE11-dist-in 10.3719 APE10-dist-out 8.7345 APE9-dist-out 9.9928 None None None XRAY 2.75 0.205 0.253 B 410.0 397.0 0 29 29 0 [[76, 338]] 1.0 3tv7 AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3TV7C Q13464 9 402 1354.0 07Q:3 Type1 Inactive DFGin 5.9954 13.0575 BLAminus -112.83, -173.21 51.38, 70.56 -91.09, 10.07 312.0, 83.09 -58.15, -16.34 in-in in 8.6464 Saltbr-in 2.6029 HRD-out -60.51, -40.04 50.0, -144.78 in-in-out SNCiio in-out ActLoopNT-in 2.8678 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iiio APE10-dihe-na -114.03, 172.25 APE9-dihe-na -61.19, 179.57 APE8-dihe-out 57.96, 81.04 APE8-rot-in 298.99 APE67-dihe-in -60.89, -34.02 -49.59, -35.58 APE12-dist-in 10.4112 APE11-dist-in 11.8316 APE10-dist-in 5.904 APE9-dist-out 7.9512 None None None XRAY 2.75 0.205 0.253 C 410.0 394.0 0 29 29 0 [[76, 338]] 1.0 3tv7 AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3TV7D Q13464 6 402 1354.0 07Q:4 Type1 Inactive DFGin 6.0098 13.3878 BLAminus -132.56, -173.08 50.96, 76.18 -95.18, 10.41 310.62, 100.91 -52.21, -21.09 in-in in 8.6226 Saltbr-in 2.9696 HRD-in -71.89, -52.06 76.5, -19.27 in-in-out SNCiio in-out ActLoopNT-in 2.7466 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oioo APE10-dihe-na -125.31, 112.9 APE9-dihe-na -69.4, 112.01 APE8-dihe-out 62.52, 139.7 APE8-rot-in 314.53 APE67-dihe-in -45.86, -52.51 -76.31, -19.81 APE12-dist-out 5.5561 APE11-dist-in 10.0551 APE10-dist-out 9.4481 APE9-dist-out 9.1763 None None None XRAY 2.75 0.205 0.253 D 410.0 397.0 0 29 29 0 [[76, 338]] 1.0 3tv7 AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3V8SA Q13464 8 402 1354.0 0HD:501 Type1 Inactive DFGin 6.1436 13.3651 BLAminus -131.47, 179.47 60.6, 71.6 -93.5, 10.81 305.1, 96.77 -59.12, -15.76 in-in in 8.8039 Saltbr-in 2.7424 HRD-in -66.59, -53.55 76.27, -10.47 in-in-out SNCiio in-out ActLoopNT-in 2.9866 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -127.49, 177.7 APE9-dihe-na 96.83, -154.47 APE8-dihe-in -129.74, 143.67 APE8-rot-out 110.69 APE67-dihe-in -64.74, -31.71 -49.91, -44.47 APE12-dist-in 10.402 APE11-dist-in 11.7757 APE10-dist-in 5.941 APE9-dist-in 3.727 None None None XRAY 2.286 0.188 0.236 A 410.0 395.0 0 29 29 0 [[76, 338]] 1.0 3v8s AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3V8SB Q13464 6 402 1354.0 0HD:501 Type1 Inactive DFGin 6.3126 13.6485 BLAminus -129.24, 179.74 58.53, 76.73 -94.51, 12.02 303.63, 98.77 -47.53, -31.19 in-in in 8.8257 Saltbr-in 3.2786 HRD-in -71.19, -49.28 79.11, -22.55 in-in-out SNCiio in-out ActLoopNT-in 2.9755 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiio APE10-dihe-na -114.6, -175.49 APE9-dihe-na -78.94, -129.14 APE8-dihe-in -42.78, 130.14 APE8-rot-in 309.49 APE67-dihe-in -49.83, -43.8 -72.71, -13.77 APE12-dist-out 6.6758 APE11-dist-in 10.1936 APE10-dist-in 7.0626 APE9-dist-out 9.4072 None None None XRAY 2.286 0.188 0.236 B 410.0 397.0 0 29 29 0 [[76, 338]] 1.0 3v8s AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3V8SC Q13464 8 402 1354.0 0HD:501 Type1 Inactive DFGin 6.2295 13.4802 BLAminus -131.94, 178.46 61.35, 70.46 -92.71, 10.99 301.74, 97.6 -57.75, -20.03 in-in in 8.7886 Saltbr-in 2.919 HRD-in -68.58, -53.3 74.86, -10.72 in-in-out SNCiio in-out ActLoopNT-in 2.9314 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -128.32, 170.47 APE9-dihe-na 100.83, -158.56 APE8-dihe-in -121.14, 144.0 APE8-rot-out 104.69 APE67-dihe-in -65.81, -32.6 -49.38, -42.89 APE12-dist-in 10.3225 APE11-dist-in 11.7298 APE10-dist-in 5.8769 APE9-dist-in 3.799 None None None XRAY 2.286 0.188 0.236 C 410.0 395.0 0 29 29 0 [[76, 338]] 1.0 3v8s AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3V8SD Q13464 6 402 1354.0 0HD:501 Type1 Inactive DFGin 6.2745 13.6806 BLAminus -134.51, 177.57 58.27, 76.4 -93.55, 11.58 303.68, 94.09 -46.72, -30.67 in-in in 8.8866 Saltbr-in 3.2291 HRD-in -77.06, -45.91 77.83, -23.23 in-in-out SNCiio in-out ActLoopNT-in 2.8603 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioo APE10-dihe-na -92.44, 115.48 APE9-dihe-na -69.73, -64.71 APE8-dihe-in -105.78, 124.29 APE8-rot-in 283.0 APE67-dihe-in -50.65, -45.32 -72.98, -15.17 APE12-dist-in 7.3821 APE11-dist-in 10.1944 APE10-dist-out 9.1232 APE9-dist-out 9.3523 None None None XRAY 2.286 0.188 0.236 D 410.0 397.0 0 29 29 0 [[76, 338]] 1.0 3v8s AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 7JOUA Q13464 9 402 1354.0 VFS:4000 Type1 Inactive DFGin 5.9959 13.3389 BLAminus -143.11, 174.9 56.51, 84.53 -111.27, 42.13 313.94, 101.63 -66.46, -29.86 in-in in 8.5845 Saltbr-in 2.6486 HRD-in -50.19, -37.76 57.05, 15.82 in-in-out SNCiio in-out ActLoopNT-in 3.2049 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -96.97, 107.53 APE9-dihe-na 156.7, 175.62 APE8-dihe-in -79.94, 144.48 APE8-rot-out 53.34 APE67-dihe-in -106.84, -34.67 -68.39, -2.9 APE12-dist-in 11.1521 APE11-dist-in 12.0952 APE10-dist-in 6.1966 APE9-dist-in 3.9409 None None None XRAY 3.318 0.218 0.248 A 413.0 388.0 6 29 29 0 [[76, 338]] 1.0 7jou AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 2ESMB Q13464 6 402 1354.0 M77:60416 Type1 Inactive DFGin 6.061 13.6372 BLAminus -120.7, -179.63 48.01, 93.78 -115.66, 13.56 300.62, 93.21 -64.59, 23.21 in-in in 8.6995 Saltbr-in 2.8089 HRD-in -64.68, -48.55 75.56, -17.87 in-in-out SNCiio in-out ActLoopNT-in 3.2022 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iioo APE10-dihe-na -120.49, 130.15 APE9-dihe-na -108.34, 137.67 APE8-dihe-out 42.68, 79.42 APE8-rot-out 61.99 APE67-dihe-in -35.68, -40.73 -70.2, -8.79 APE12-dist-in 8.4022 APE11-dist-in 12.1461 APE10-dist-out 11.1177 APE9-dist-out 9.3488 None None None XRAY 3.2 0.245 0.269 B 415.0 397.0 0 29 29 0 [[76, 338]] 1.0 2esm AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 2ETKB Q13464 6 402 1354.0 HFS:60416 Type1 Inactive DFGin 6.0988 14.0359 BLAminus -119.07, 154.83 65.29, 101.07 -117.09, 36.18 302.09, 93.41 -68.48, -4.85 in-in in 9.0892 Saltbr-in 3.243 HRD-in -65.95, -45.05 68.6, -11.17 in-in-out SNCiio in-out ActLoopNT-in 3.2092 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iioo APE10-dihe-na -71.16, 135.51 APE9-dihe-na -102.49, 125.46 APE8-dihe-out 53.01, 88.66 APE8-rot-out 64.43 APE67-dihe-in -46.44, -46.86 -71.84, 0.84 APE12-dist-in 8.5086 APE11-dist-in 12.7455 APE10-dist-out 10.6258 APE9-dist-out 9.2018 None None None XRAY 2.96 0.278 0.298 B 415.0 397.0 0 29 29 0 [[76, 338]] 1.0 2etk AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 2ETRB Q13464 6 402 1354.0 Y27:60416 Type1 Inactive DFGin 5.8642 13.4794 BLAminus -117.79, 150.58 66.33, 120.21 -134.86, 36.11 306.16, 88.12 -76.52, 0.93 in-in in 8.6856 Saltbr-in 2.7524 HRD-in -64.78, -48.06 73.52, -11.25 in-in-out SNCiio in-out ActLoopNT-in 3.1344 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iioo APE10-dihe-na -133.18, 138.43 APE9-dihe-na -103.78, 137.39 APE8-dihe-out 35.65, 91.86 APE8-rot-out 53.99 APE67-dihe-in -36.65, -43.6 -71.33, -4.49 APE12-dist-in 8.9107 APE11-dist-in 12.3333 APE10-dist-out 10.993 APE9-dist-out 9.4207 None None None XRAY 2.6 0.252 0.266 B 415.0 397.0 0 29 29 0 [[76, 338]] 1.0 2etr AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3D9VB Q13464 6 402 1354.0 H52:60416 Type1 Inactive DFGin 6.2327 14.2848 BLAminus -106.4, 155.82 65.21, 114.96 -130.45, 38.78 300.73, 91.97 -71.81, 5.36 in-in in 9.2841 Saltbr-in 3.3613 HRD-in -72.68, -45.11 70.15, -5.49 in-in-out SNCiio in-out ActLoopNT-in 3.348 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iioo APE10-dihe-na -129.14, 113.22 APE9-dihe-na -106.7, 121.13 APE8-dihe-out 49.67, 80.41 APE8-rot-out 65.01 APE67-dihe-in -69.09, -34.75 -74.38, 9.95 APE12-dist-in 8.6261 APE11-dist-in 11.9902 APE10-dist-out 12.6467 APE9-dist-out 8.6016 None None None XRAY 3.3 0.262 0.28 B 415.0 397.0 0 29 29 0 [[76, 338]] 1.0 3d9v AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 4YVCB Q13464 6 402 1354.0 4KH:60501 Type1 Inactive DFGin 5.9866 13.03 BLAminus -134.48, 170.05 59.86, 81.37 -101.66, 32.67 304.4, 103.91 -59.54, -31.24 in-in in 8.0767 Saltbr-in 2.8763 HRD-in -67.8, -48.64 81.06, -11.79 in-in-out SNCiio in-out ActLoopNT-in 3.0338 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -102.76, 137.3 APE9-dihe-na -116.91, 99.15 APE8-dihe-out 69.44, 93.76 APE8-rot-in 303.49 APE67-dihe-in -38.38, -37.91 -75.8, -10.12 APE12-dist-in 8.3297 APE11-dist-in 11.8443 APE10-dist-out 10.6438 APE9-dist-out 9.5203 None None None XRAY 3.2 0.193 0.221 B 415.0 391.0 0 29 29 0 [[76, 338]] 1.0 4yvc AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 4YVEB Q13464 6 402 1354.0 4KK:60501 Type1 Inactive DFGin 5.9485 13.0345 BLAminus -142.15, 177.6 55.83, 66.0 -91.48, 48.79 310.94, 106.94 -71.74, -55.62 in-in in 8.4015 Saltbr-in 2.7056 HRD-in -79.37, -42.41 80.29, -49.62 in-in-out SNCiio in-out ActLoopNT-in 3.013 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iiio APE10-dihe-na -118.45, 127.42 APE9-dihe-na -99.77, 159.7 APE8-dihe-out 61.11, 72.27 APE8-rot-in 329.33 APE67-dihe-in -42.85, -44.14 -72.95, -1.39 APE12-dist-in 8.1935 APE11-dist-in 11.937 APE10-dist-in 7.8012 APE9-dist-out 10.5375 None None None XRAY 3.4 0.219 0.244 B 415.0 392.0 0 29 29 0 [[76, 338]] 1.0 4yve AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5BMLB Q13464 6 402 1354.0 4TW:60501 Type1 Inactive DFGin 6.1679 12.813 BLAminus -147.33, 171.63 63.14, 85.86 -106.59, 29.54 304.93, 104.29 -62.75, -25.28 in-in in 8.1657 Saltbr-in 3.0671 HRD-in -63.43, -48.76 84.09, -44.69 in-in-out SNCiio in-out ActLoopNT-in 2.958 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -95.23, 140.75 APE9-dihe-na -114.06, 93.2 APE8-dihe-out 74.29, 102.13 APE8-rot-in 315.97 APE67-dihe-in -37.39, -45.07 -85.5, -0.43 APE12-dist-in 8.4795 APE11-dist-in 11.9013 APE10-dist-out 10.1379 APE9-dist-out 10.2327 None None None XRAY 2.95 0.207 0.235 B 415.0 394.0 0 29 29 0 [[76, 338]] 1.0 5bml AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5UZJB Q13464 6 402 1354.0 8UV:60501 Type1 Inactive DFGin 6.1932 13.2335 BLAminus -141.66, 165.11 62.71, 74.36 -91.14, 38.13 303.19, 107.23 -56.15, -61.3 in-in in 8.556 Saltbr-in 2.6692 HRD-in -70.32, -41.49 73.65, -34.67 in-in-out SNCiio in-out ActLoopNT-in 2.9318 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -71.09, 138.52 APE9-dihe-na -78.02, -115.28 APE8-dihe-in -91.0, 118.08 APE8-rot-out 62.39 APE67-dihe-in -38.15, -42.63 -62.29, -19.27 APE12-dist-in 8.5087 APE11-dist-in 11.3479 APE10-dist-out 10.7423 APE9-dist-out 9.8493 None None None XRAY 3.3 0.202 0.241 B 415.0 385.0 6 29 29 0 [[76, 338]] 1.0 5uzj AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3TWJA Q13464 7 402 1354.0 07R:1 Type1.5_Back Inactive DFGin 5.6996 13.1646 BLAminus -143.98, -170.74 43.72, 70.92 -91.2, 6.87 296.12, 123.32 -47.0, -46.98 in-in in 8.5649 Saltbr-in 2.7231 HRD-out -68.6, -38.18 61.09, 82.09 in-in-out SNCiio in-out ActLoopNT-in 3.1501 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -137.63, -171.58 APE9-dihe-na -153.4, 162.36 APE8-dihe-out 59.85, 72.82 APE8-rot-in 311.01 APE67-dihe-in -44.17, -44.94 -71.0, -20.06 APE12-dist-in 7.7426 APE11-dist-in 11.2172 APE10-dist-out 8.6376 APE9-dist-out 9.8121 None None None XRAY 2.9 0.224 0.289 A 410.0 396.0 0 29 29 0 [[76, 338]] 1.0 3twj AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5HVUB Q13464 6 402 1354.0 65R:60501 Type1.5_Front Inactive DFGin 6.027 12.9745 BLAminus -150.94, 172.97 62.5, 81.89 -105.96, 31.62 305.32, 102.48 -65.13, -10.17 in-in in 8.313 Saltbr-in 2.9377 HRD-in -68.69, -52.17 76.83, -16.13 in-in-out SNCiio in-out ActLoopNT-in 2.9347 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 133.5 APE8-rot-out 85.32 APE67-dihe-in -36.29, -45.18 -89.86, -8.53 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.8 0.239 0.248 B 415.0 393.0 4 29 25 4 [[76, 338]] 1.0 5hvu AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5KKSB Q13464 6 402 1354.0 6U1:60501 Type1.5_Front Inactive DFGin 6.1398 13.3356 BLAminus -142.66, 177.11 58.73, 60.85 -80.32, 21.73 304.44, 101.0 -56.11, -39.34 in-in in 8.227 Saltbr-in 2.7464 HRD-in -68.72, -42.28 78.49, -44.71 in-in-out SNCiio in-out ActLoopNT-in 3.0698 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iioo APE10-dihe-na -104.48, 133.16 APE9-dihe-na -95.73, 130.38 APE8-dihe-out 63.66, 89.81 APE8-rot-out 67.34 APE67-dihe-in -44.41, -53.62 -78.83, 5.04 APE12-dist-in 8.7146 APE11-dist-in 12.1744 APE10-dist-out 8.6492 APE9-dist-out 10.2132 None None None XRAY 3.3 0.215 0.254 B 415.0 394.0 0 29 29 0 [[76, 338]] 1.0 5kks AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5KKTB Q13464 6 402 1354.0 6U2:60501 Type1.5_Front Inactive DFGin 6.3063 13.5992 BLAminus -130.02, -177.11 50.1, 80.15 -95.96, 18.23 299.48, 98.02 -62.02, -10.47 in-in in 8.8895 Saltbr-in 2.7797 HRD-in -68.38, -47.41 71.48, -14.73 in-in-out SNCiio in-out ActLoopNT-in 3.0727 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -110.61, 86.79 APE9-dihe-na -63.17, 97.09 APE8-dihe-out 74.12, 110.85 APE8-rot-in 316.95 APE67-dihe-in -53.36, -37.05 -91.57, 10.0 APE12-dist-in 8.4324 APE11-dist-in 11.3574 APE10-dist-out 10.1986 APE9-dist-out 9.4216 None None None XRAY 2.8 0.223 0.237 B 415.0 393.0 0 29 29 0 [[76, 338]] 1.0 5kkt AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 7S26C Q13464 8 402 1354.0 86K:60501 Type1 Inactive DFGin 5.9502 13.3697 BLBminus -142.33, 179.72 55.18, 85.73 -101.52, 145.33 303.83, 102.55 -56.13, 999.0 in-in in 8.6394 Saltbr-in 2.7444 HRD-in -63.89, -36.06 71.41, -31.82 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 145.87 APE8-rot-out 190.89 APE67-dihe-in -62.24, -33.76 -58.59, -27.8 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.744 0.247 0.269 C 398.0 363.0 18 29 11 18 [[76, 338]] 1.0 7s26 AGC_ROCK1_HUMAN AGC 3.1e-94 320.9 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3TWJC Q13464 7 402 1354.0 07R:2 Type1 Inactive DFGin 8.7595 16.2726 None -145.99, 165.67 60.97, 69.02 -57.54, -10.47 212.34, 59.8 -68.93, 18.62 in-out in 7.7943 Saltbr-out 3.8223 HRD-in -73.44, -64.4 76.54, -16.94 out-out-out SNCooo out-out ActLoopNT-out 3.6487 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oiio APE10-dihe-na -174.55, 155.89 APE9-dihe-na -163.77, 151.18 APE8-dihe-out 67.81, 65.3 APE8-rot-in 318.87 APE67-dihe-in -61.73, -42.12 -68.66, -9.31 APE12-dist-out 6.7625 APE11-dist-in 8.2184 APE10-dist-in 6.2456 APE9-dist-out 9.0493 None None None XRAY 2.9 0.224 0.289 C 410.0 396.0 0 29 29 0 [[76, 338]] 1.0 3twj AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3TWJB Q13464 8 402 1354.0 No_ligand No_ligand Inactive DFGinter 10.8149 7.2948 None -140.02, 177.72 -138.03, 117.9 -134.18, -179.7 267.51, 14.98 -75.11, 143.68 in-in in 8.0422 Saltbr-in 3.5621 HRD-in -70.23, -44.84 80.45, -14.54 in-out-out SNCioo out-out ActLoopNT-out 20.3746 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioi APE10-dihe-na -116.17, 145.08 APE9-dihe-na 57.93, -141.29 APE8-dihe-in -142.15, 148.38 APE8-rot-out 101.8 APE67-dihe-in -61.61, -39.57 -51.91, -51.11 APE12-dist-in 11.7872 APE11-dist-in 13.034 APE10-dist-out 12.3155 APE9-dist-in 4.1957 None None None XRAY 2.9 0.224 0.289 B 410.0 395.0 0 29 29 0 [[76, 338]] 1.0 3twj AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 3TWJD Q13464 8 402 1354.0 No_ligand No_ligand Inactive DFGinter 10.7901 6.9272 None -126.16, 176.03 -134.68, 123.87 -143.34, -165.47 284.96, 15.3 -95.64, -168.75 in-in in 8.2573 Saltbr-in 2.9431 HRD-in -49.62, -47.32 79.16, -22.55 in-out-out SNCioo out-out ActLoopNT-out 20.3967 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioi APE10-dihe-na 45.48, 65.51 APE9-dihe-na 78.31, -176.86 APE8-dihe-in -88.74, 143.63 APE8-rot-out 17.15 APE67-dihe-in -61.11, -33.54 -55.29, -47.59 APE12-dist-in 9.9928 APE11-dist-in 10.7771 APE10-dist-out 10.9452 APE9-dist-in 5.2972 None None None XRAY 2.9 0.224 0.289 D 410.0 395.0 0 29 29 0 [[76, 338]] 1.0 3twj AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 7S25A Q13464 7 401 1354.0 86G:504 Type1 Inactive DFGout 12.3182 10.5395 None -104.78, 156.55 -123.71, 119.26 -167.75, -177.1 52.05, 88.34 -122.16, 999.0 in-in in 8.4534 Saltbr-in 2.7603 HRD-in -48.48, -35.86 65.44, -17.99 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -126.37 APE8-dihe-in -84.85, 138.74 APE8-rot-in 343.84 APE67-dihe-in -53.73, -33.25 -65.56, -53.04 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 6.1051 None None None XRAY 2.337 0.24 0.271 A 396.0 373.0 22 29 12 17 [[76, 338]] 1.0 7s25 AGC_ROCK1_HUMAN AGC 3e-94 320.9 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 7S25B Q13464 8 402 1354.0 86G:501 Type1 Inactive DFGout 12.1606 10.1444 None -102.96, 170.2 -133.51, 102.53 -164.51, 160.19 55.37, 93.46 -104.18, 142.28 in-in in 8.6472 Saltbr-in 2.7102 HRD-in -64.3, -54.36 69.65, -10.64 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioo APE10-dihe-na -102.96, -6.09 APE9-dihe-na 73.94, -123.45 APE8-dihe-in -79.15, 120.74 APE8-rot-in 312.82 APE67-dihe-in -46.47, -33.29 -85.89, -15.42 APE12-dist-in 11.3205 APE11-dist-in 11.3061 APE10-dist-out 9.4116 APE9-dist-out 8.4049 None None None XRAY 2.337 0.24 0.271 B 396.0 379.0 12 29 17 12 [[76, 338]] 1.0 7s25 AGC_ROCK1_HUMAN AGC 3e-94 320.9 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 7S25C Q13464 13 402 1354.0 86G:501 Type1 Inactive DFGout 12.6929 10.5438 None -104.89, 170.47 -133.65, 98.69 -152.01, 158.42 54.9, 83.0 -75.12, 999.0 in-in in 8.5051 Saltbr-in 2.7988 HRD-in -63.41, -47.95 72.04, -26.33 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 89.67 APE8-rot-out 72.08 APE67-dihe-in -54.43, -34.25 -48.72, -39.85 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.337 0.24 0.271 C 396.0 361.0 18 29 11 18 [[76, 338]] 1.0 7s25 AGC_ROCK1_HUMAN AGC 3e-94 320.9 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 7S25D Q13464 9 401 1354.0 No_ligand No_ligand Inactive None 999.0 999.0 None -105.32, 999.0 999.0, 999.0 999.0, 999.0 999.0, 999.0 999.0, 999.0 in-in in 8.4721 Saltbr-in 2.7334 HRD-in -82.09, -47.81 61.94, 11.48 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 999.0, 999.0 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.337 0.24 0.271 D 396.0 257.0 113 29 0 29 [[76, 338]] 1.0 7s25 AGC_ROCK1_HUMAN AGC 3e-94 320.9 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 7S26B Q13464 6 402 1354.0 86K:60502 Type1 None DFGin 5.8942 13.4657 BLAminus -142.81, 170.64 62.27, 84.33 -99.22, -25.13 305.67, 98.88 -149.72, 999.0 in-in in 8.6936 Saltbr-in 2.7317 HRD-in -65.9, -38.81 79.64, -62.78 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -60.9, -32.72 999.0, -32.35 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.744 0.247 0.269 B 398.0 372.0 19 29 10 19 [[76, 338]] 1.0 7s26 AGC_ROCK1_HUMAN AGC 3.1e-94 320.9 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 5WNEB Q13464 6 402 1354.0 B4J:60900 Type1.5_Front None DFGin 6.1578 13.4294 BLAminus -143.39, 177.51 52.52, 73.92 -94.42, 17.67 303.21, 98.37 -69.6, 5.07 in-in in 8.3856 Saltbr-in 2.8488 HRD-in -60.97, -51.26 69.54, -7.09 in-in-none SNCiin in-none ActLoopNT-in 3.2345 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -78.48, -24.9 999.0, -22.84 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.6 0.229 0.246 B 415.0 351.0 34 29 20 9 [[76, 338]] 1.0 5wne AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1

AGC_ROCK1 (Rho-associated protein kinase 1)

Total number of chains: 78
Active chains: 22
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 48 61.5% AF-Q13464-K1A
DFGin ABAminus 22 28.2% 5WNFA
DFGout None 3 3.8% 7S25B
DFGinter None 2 2.6% 3TWJB
DFGin BLBminus 1 1.3% 7S26C
DFGin None 1 1.3% 3TWJC
None None 1 1.3% 7S25D

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Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ
DFG-Asp
φ,ψ
DFG-Phe
φ,ψ
DFG-Phe
χ1,χ2
DFG-Gly
φ,ψ
ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Species Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name
ROCK1 ROCK1_HUMAN 2V55A Q13464 6 404 1354.0 ANP:1480 ATPlike Active DFGin 5.8805 13.604 BLAminus -137.29, -177.31 60.22, 109.9 -132.74, 24.25 290.89, 71.12 -53.92, -52.21 in-in in 9.0764 Saltbr-in 2.7079 HRD-in -79.75, -71.28 93.49, -31.37 in-in-in SNCiii in-in ActLoopNT-in 3.2811 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -147.46, 139.75 APE9-dihe-na 103.51, 160.5 APE8-dihe-in -55.22, 144.8 APE8-rot-in 285.63 APE67-dihe-in -74.86, -38.79 -80.34, -13.24 APE12-dist-in 10.3243 APE11-dist-in 11.2781 APE10-dist-in 5.6467 APE9-dist-in 4.1313 None None None XRAY 3.705 0.238 0.269 A 406.0 393.0 0 29 29 0 [[76, 338]] 1.0 2v55 Homo sapiens AGC_ROCK1_HUMAN AGC 3.3e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 2V55C Q13464 6 404 1354.0 ANP:1480 ATPlike Active DFGin 5.8838 13.6079 BLAminus -137.56, -177.44 62.15, 108.48 -130.26, 22.71 291.3, 72.92 -54.95, -50.69 in-in in 9.1112 Saltbr-in 2.7059 HRD-in -78.29, -71.79 95.11, -31.46 in-in-in SNCiii in-in ActLoopNT-in 3.2466 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -148.41, 139.12 APE9-dihe-na 103.28, 159.31 APE8-dihe-in -53.48, 142.5 APE8-rot-in 287.35 APE67-dihe-in -76.24, -37.92 -78.8, -11.99 APE12-dist-in 10.2795 APE11-dist-in 11.2692 APE10-dist-in 5.6233 APE9-dist-in 4.0966 None None None XRAY 3.705 0.238 0.269 C 406.0 396.0 0 29 29 0 [[76, 338]] 1.0 2v55 Homo sapiens AGC_ROCK1_HUMAN AGC 3.3e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN AF-Q13464-K1A Q13464 68 346 1354.0 No_ligand No_ligand Active DFGin 6.0059 13.0664 BLAminus -137.66, -178.75 47.45, 69.34 -81.8, 16.56 305.27, 105.28 -65.56, -12.08 in-in in 8.5519 Saltbr-in 2.6238 HRD-in -74.85, -46.42 64.04, 4.32 in-in-in SNCiii in-in ActLoopNT-in 2.933 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.58, 160.73 APE9-dihe-na 98.63, 175.06 APE8-dihe-in -68.34, 133.89 APE8-rot-in 288.19 APE67-dihe-in -75.11, -22.05 -52.44, -39.16 APE12-dist-in 10.1589 APE11-dist-in 11.2599 APE10-dist-in 5.3929 APE9-dist-in 3.7256 None None None AF2 -1.0 1.0 1.0 A 279.0 279.0 0 29 29 0 [[76, 338]] 1.0 AF-Q13464-K1 Homo sapiens AGC_ROCK1_HUMAN AGC 9.2e-95 322.5 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN AF-Q13464-K3A Q13464 68 346 1354.0 No_ligand No_ligand Active DFGin 5.8505 13.2708 BLAminus -137.07, 179.96 52.49, 70.51 -80.48, 13.64 307.69, 107.27 -65.8, -8.31 in-in in 8.8334 Saltbr-in 2.6833 HRD-in -84.07, -47.73 66.69, 2.67 in-in-in SNCiii in-in ActLoopNT-in 2.9689 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.35, 143.29 APE9-dihe-na 121.73, 178.17 APE8-dihe-in -80.88, 131.47 APE8-rot-in 300.07 APE67-dihe-in -72.64, -15.78 -48.59, -46.75 APE12-dist-in 10.8022 APE11-dist-in 11.6421 APE10-dist-in 5.8713 APE9-dist-in 3.2563 None None None AF2 -1.0 1.0 1.0 A 279.0 279.0 0 29 29 0 [[76, 338]] 1.0 AF-Q13464-K3 Homo sapiens AGC_ROCK1_HUMAN AGC 9.2e-95 322.5 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 4W7PA Q13464 6 405 1354.0 3J7:501 Type1 Active DFGin 6.2588 12.9783 BLAminus -131.32, -179.69 55.02, 77.47 -91.49, 17.42 302.12, 101.71 -69.96, -11.88 in-in in 8.1822 Saltbr-in 2.5657 HRD-in -62.73, -47.54 67.38, -1.52 in-in-in SNCiii in-in ActLoopNT-in 3.0768 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -139.79, 138.22 APE9-dihe-na 110.79, -174.17 APE8-dihe-in -93.29, 129.06 APE8-rot-in 302.8 APE67-dihe-in -74.33, -31.52 -36.7, -38.86 APE12-dist-in 10.7312 APE11-dist-in 11.4617 APE10-dist-in 5.9518 APE9-dist-in 3.6742 None None None XRAY 2.8 0.208 0.246 A 411.0 388.0 6 29 29 0 [[76, 338]] 1.0 4w7p Homo sapiens AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 4W7PB Q13464 6 401 1354.0 3J7:501 Type1 Active DFGin 6.1538 13.4355 BLAminus -133.96, 174.8 56.5, 83.88 -98.36, 33.02 302.17, 98.2 -70.04, -15.43 in-in in 8.2136 Saltbr-in 2.7259 HRD-in -62.94, -46.77 66.68, -0.73 in-in-in SNCiii in-in ActLoopNT-in 3.0944 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.83, 139.14 APE9-dihe-na 109.13, -172.67 APE8-dihe-in -92.68, 127.41 APE8-rot-in 302.74 APE67-dihe-in -74.45, -31.78 -35.08, -39.48 APE12-dist-in 10.707 APE11-dist-in 11.4081 APE10-dist-in 5.8831 APE9-dist-in 3.7029 None None None XRAY 2.8 0.208 0.246 B 411.0 387.0 6 29 29 0 [[76, 338]] 1.0 4w7p Homo sapiens AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 4W7PC Q13464 6 401 1354.0 3J7:501 Type1 Active DFGin 6.2818 13.2559 BLAminus -124.31, 179.51 53.21, 87.62 -105.48, 23.02 305.5, 95.5 -67.24, -3.72 in-in in 8.2573 Saltbr-in 2.7974 HRD-in -62.84, -46.85 67.56, -2.48 in-in-in SNCiii in-in ActLoopNT-in 3.0897 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -138.95, 139.35 APE9-dihe-na 109.16, -174.28 APE8-dihe-in -91.11, 127.59 APE8-rot-in 304.22 APE67-dihe-in -73.68, -32.3 -37.14, -39.74 APE12-dist-in 10.7249 APE11-dist-in 11.5406 APE10-dist-in 6.024 APE9-dist-in 3.6753 None None None XRAY 2.8 0.208 0.246 C 411.0 383.0 7 29 29 0 [[76, 338]] 1.0 4w7p Homo sapiens AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 4W7PD Q13464 6 403 1354.0 3J7:501 Type1 Active DFGin 6.3521 13.3209 BLAminus -140.19, -177.5 56.39, 77.39 -95.5, 16.8 300.98, 99.72 -61.76, -14.51 in-in in 8.2911 Saltbr-in 2.8359 HRD-in -63.87, -49.18 67.62, 4.17 in-in-in SNCiii in-in ActLoopNT-in 3.0978 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -138.12, 138.83 APE9-dihe-na 110.39, -175.06 APE8-dihe-in -91.75, 128.12 APE8-rot-in 303.98 APE67-dihe-in -75.08, -31.43 -35.22, -39.46 APE12-dist-in 10.6803 APE11-dist-in 11.4828 APE10-dist-in 5.9317 APE9-dist-in 3.7023 None None None XRAY 2.8 0.208 0.246 D 411.0 387.0 6 29 29 0 [[76, 338]] 1.0 4w7p Homo sapiens AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 2ESMA Q13464 6 405 1354.0 M77:60416 Type1 Active DFGin 6.1046 13.6884 BLAminus -120.74, 175.27 52.57, 92.93 -113.78, 23.07 302.86, 94.18 -55.5, -15.7 in-in in 8.5841 Saltbr-in 2.7623 HRD-in -64.55, -47.39 72.73, -12.37 in-in-in SNCiii in-in ActLoopNT-in 3.3126 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.11, 156.73 APE9-dihe-na 129.25, -151.41 APE8-dihe-in -127.71, 135.99 APE8-rot-in 310.98 APE67-dihe-in -65.34, -28.12 -39.62, -57.01 APE12-dist-in 11.7242 APE11-dist-in 11.4531 APE10-dist-in 5.7771 APE9-dist-in 3.5346 None None None XRAY 3.2 0.245 0.269 A 415.0 400.0 0 29 29 0 [[76, 338]] 1.0 2esm Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 2ETKA Q13464 6 405 1354.0 HFS:60416 Type1 Active DFGin 6.0593 14.0965 BLAminus -116.57, 151.42 65.52, 106.25 -118.99, 38.28 303.23, 95.7 -62.53, -30.1 in-in in 9.0237 Saltbr-in 3.0869 HRD-in -67.16, -45.15 69.82, -9.8 in-in-in SNCiii in-in ActLoopNT-in 3.2241 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -134.46, 135.93 APE9-dihe-na 138.1, -153.58 APE8-dihe-in -121.49, 133.91 APE8-rot-in 318.16 APE67-dihe-in -78.08, -32.49 -44.0, -39.32 APE12-dist-in 11.8404 APE11-dist-in 11.5458 APE10-dist-in 5.8563 APE9-dist-in 3.7375 None None None XRAY 2.96 0.278 0.298 A 415.0 400.0 0 29 29 0 [[76, 338]] 1.0 2etk Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 2ETRA Q13464 6 405 1354.0 Y27:60416 Type1 Active DFGin 6.0233 14.0327 BLAminus -115.35, 151.29 66.22, 120.62 -135.54, 23.8 302.55, 92.69 -59.35, -26.34 in-in in 8.7862 Saltbr-in 2.7333 HRD-in -66.03, -45.85 73.19, -11.33 in-in-in SNCiii in-in ActLoopNT-in 3.0951 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -134.94, 135.12 APE9-dihe-na 138.18, -155.48 APE8-dihe-in -122.76, 133.42 APE8-rot-in 310.03 APE67-dihe-in -71.74, -29.22 -38.34, -50.83 APE12-dist-in 11.7477 APE11-dist-in 11.548 APE10-dist-in 5.8769 APE9-dist-in 3.7015 None None None XRAY 2.6 0.252 0.266 A 415.0 400.0 0 29 29 0 [[76, 338]] 1.0 2etr Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3D9VA Q13464 6 405 1354.0 H52:60416 Type1 Active DFGin 6.2015 14.2593 BLAminus -97.17, 154.71 64.91, 125.89 -137.95, 39.08 298.06, 99.68 -71.65, -6.65 in-in in 9.1774 Saltbr-in 3.1542 HRD-in -71.72, -45.61 70.74, -5.17 in-in-in SNCiii in-in ActLoopNT-in 3.2016 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -138.18, 131.07 APE9-dihe-na 140.68, -156.12 APE8-dihe-in -114.86, 135.68 APE8-rot-in 311.45 APE67-dihe-in -80.47, -37.33 -48.71, -38.59 APE12-dist-in 11.7457 APE11-dist-in 11.7759 APE10-dist-in 6.137 APE9-dist-in 3.7555 None None None XRAY 3.3 0.262 0.28 A 415.0 400.0 0 29 29 0 [[76, 338]] 1.0 3d9v Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 4YVCA Q13464 6 405 1354.0 4KH:60501 Type1 Active DFGin 5.8704 13.1138 BLAminus -131.73, 179.43 49.79, 78.91 -95.58, 35.98 309.76, 96.36 -52.74, -39.15 in-in in 8.4249 Saltbr-in 3.0266 HRD-in -62.91, -47.72 78.09, -4.27 in-in-in SNCiii in-in ActLoopNT-in 3.0631 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -141.16, 137.86 APE9-dihe-na 126.1, -158.78 APE8-dihe-in -106.17, 145.81 APE8-rot-in 290.0 APE67-dihe-in -72.07, -14.66 -55.89, -48.56 APE12-dist-in 11.644 APE11-dist-in 11.4144 APE10-dist-in 5.9155 APE9-dist-in 3.809 None None None XRAY 3.2 0.193 0.221 A 415.0 388.0 5 29 29 0 [[76, 338]] 1.0 4yvc Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 4YVEA Q13464 6 405 1354.0 4KK:60501 Type1 Active DFGin 5.6208 12.8068 BLAminus -135.63, 174.2 57.57, 62.47 -84.06, 54.44 321.53, 81.4 -64.54, -38.78 in-in in 8.3923 Saltbr-in 2.8393 HRD-in -66.81, -33.75 61.05, -11.49 in-in-in SNCiii in-in ActLoopNT-in 2.8908 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.37, 139.44 APE9-dihe-na 133.32, -156.65 APE8-dihe-in -109.47, 141.28 APE8-rot-in 300.76 APE67-dihe-in -87.71, -40.47 -52.3, -33.35 APE12-dist-in 11.916 APE11-dist-in 11.5401 APE10-dist-in 6.0064 APE9-dist-in 3.8404 None None None XRAY 3.4 0.219 0.244 A 415.0 390.0 4 29 29 0 [[76, 338]] 1.0 4yve Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5BMLA Q13464 6 405 1354.0 4TW:60501 Type1 Active DFGin 6.1658 13.1148 BLAminus -136.45, -178.03 52.19, 80.38 -99.05, 18.0 302.5, 105.79 -59.89, -6.36 in-in in 8.1726 Saltbr-in 2.7611 HRD-in -66.74, -49.49 70.73, -5.79 in-in-in SNCiii in-in ActLoopNT-in 2.9224 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -146.01, 144.84 APE9-dihe-na 123.64, -151.58 APE8-dihe-in -116.7, 138.56 APE8-rot-in 292.02 APE67-dihe-in -71.41, -43.61 -45.01, -45.51 APE12-dist-in 12.1713 APE11-dist-in 11.5202 APE10-dist-in 6.0466 APE9-dist-in 3.7485 None None None XRAY 2.95 0.207 0.235 A 415.0 393.0 2 29 29 0 [[76, 338]] 1.0 5bml Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5KKSA Q13464 6 405 1354.0 6U1:60501 Type1 Active DFGin 6.1858 13.3524 BLAminus -142.64, 177.27 59.6, 62.04 -81.65, 21.26 304.3, 101.28 -54.79, -41.15 in-in in 8.259 Saltbr-in 2.7539 HRD-in -54.42, -38.35 63.96, -11.55 in-in-in SNCiii in-in ActLoopNT-in 3.0779 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -141.2, 147.03 APE9-dihe-na 120.6, -151.04 APE8-dihe-in -115.4, 140.07 APE8-rot-in 299.71 APE67-dihe-in -59.58, -43.85 -44.15, -59.93 APE12-dist-in 11.8871 APE11-dist-in 11.441 APE10-dist-in 5.829 APE9-dist-in 3.7483 None None None XRAY 3.3 0.215 0.254 A 415.0 395.0 0 29 29 0 [[76, 338]] 1.0 5kks Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5KKTA Q13464 6 405 1354.0 6U2:60501 Type1 Active DFGin 6.3353 13.5854 BLAminus -128.59, -176.48 50.52, 79.42 -95.97, 17.69 299.29, 99.89 -62.82, -14.55 in-in in 8.893 Saltbr-in 2.7725 HRD-in -67.63, -48.61 71.19, -4.25 in-in-in SNCiii in-in ActLoopNT-in 3.0473 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -145.03, 142.19 APE9-dihe-na 128.21, -142.04 APE8-dihe-in -128.93, 139.4 APE8-rot-in 303.92 APE67-dihe-in -73.59, -33.97 -48.22, -44.35 APE12-dist-in 11.474 APE11-dist-in 11.6748 APE10-dist-in 6.1732 APE9-dist-in 3.6061 None None None XRAY 2.8 0.223 0.237 A 415.0 389.0 4 29 29 0 [[76, 338]] 1.0 5kkt Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5UZJA Q13464 6 405 1354.0 8UV:60501 Type1 Active DFGin 6.1695 13.1005 BLAminus -139.82, 174.8 51.53, 74.94 -94.18, 44.21 303.79, 97.11 -58.95, -59.6 in-in in 8.6396 Saltbr-in 2.7936 HRD-in -71.22, -41.37 70.75, -24.52 in-in-in SNCiii in-in ActLoopNT-in 3.0257 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -145.33, 135.82 APE9-dihe-na 134.09, -159.86 APE8-dihe-in -104.52, 140.59 APE8-rot-in 298.4 APE67-dihe-in -92.6, -25.3 -52.4, -27.33 APE12-dist-in 11.9065 APE11-dist-in 11.5034 APE10-dist-in 5.9924 APE9-dist-in 4.0306 None None None XRAY 3.3 0.202 0.241 A 415.0 387.0 8 29 29 0 [[76, 338]] 1.0 5uzj Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5HVUA Q13464 6 405 1354.0 65R:60501 Type1.5_Front Active DFGin 6.0644 13.0084 BLAminus -144.77, -177.33 55.22, 80.15 -106.17, 33.13 305.29, 103.88 -64.0, -11.53 in-in in 8.4027 Saltbr-in 2.9187 HRD-in -68.11, -52.8 76.77, -16.02 in-in-in SNCiii in-in ActLoopNT-in 2.996 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.34, 135.58 APE9-dihe-na 137.6, -151.11 APE8-dihe-in -124.0, 136.06 APE8-rot-in 298.85 APE67-dihe-in -72.28, -36.35 -46.39, -41.26 APE12-dist-in 12.0216 APE11-dist-in 11.4681 APE10-dist-in 5.929 APE9-dist-in 3.8859 None None None XRAY 2.8 0.239 0.248 A 415.0 394.0 0 29 29 0 [[76, 338]] 1.0 5hvu Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5WNEA Q13464 14 400 1354.0 B4J:60501 Type1.5_Front Active DFGin 6.2249 13.5671 BLAminus -135.0, 175.35 53.04, 84.77 -102.97, 28.35 302.63, 101.99 -70.63, -10.88 in-in in 8.9515 Saltbr-in 2.8119 HRD-in -65.73, -50.65 71.21, -5.22 in-in-in SNCiii in-in ActLoopNT-in 2.9666 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.88, 137.37 APE9-dihe-na 126.73, -152.59 APE8-dihe-in -112.81, 138.1 APE8-rot-in 304.24 APE67-dihe-in -78.8, -30.66 -52.66, -36.48 APE12-dist-in 10.9845 APE11-dist-in 11.5429 APE10-dist-in 5.8817 APE9-dist-in 3.725 None None None XRAY 2.6 0.229 0.246 A 415.0 384.0 0 29 29 0 [[76, 338]] 1.0 5wne Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5WNEC Q13464 6 402 1354.0 B4J:60900 Type1.5_Front Active DFGin 6.226 13.3122 BLAminus -141.6, 173.01 60.67, 84.57 -108.59, 26.04 304.33, 107.59 -71.96, -9.2 in-in in 8.5563 Saltbr-in 2.8148 HRD-in -53.88, -50.49 68.34, -4.44 in-in-in SNCiii in-in ActLoopNT-in 3.3237 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.23, 131.39 APE9-dihe-na 141.47, -150.22 APE8-dihe-in -114.01, 135.26 APE8-rot-in 304.1 APE67-dihe-in -79.17, -28.35 -50.74, -38.29 APE12-dist-in 10.7791 APE11-dist-in 11.5888 APE10-dist-in 5.7354 APE9-dist-in 3.8217 None None None XRAY 2.6 0.229 0.246 C 415.0 382.0 9 29 29 0 [[76, 338]] 1.0 5wne Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5WNED Q13464 7 402 1354.0 B4J:60900 Type1.5_Front Active DFGin 6.1094 13.3805 BLAminus -136.38, 179.68 48.06, 76.76 -93.24, 35.49 302.92, 95.86 -65.45, -20.45 in-in in 8.4868 Saltbr-in 2.7853 HRD-in -58.19, -50.71 67.27, -4.18 in-in-in SNCiii in-in ActLoopNT-in 3.2218 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -135.61, 140.56 APE9-dihe-na 127.23, -150.56 APE8-dihe-in -113.66, 136.6 APE8-rot-in 304.03 APE67-dihe-in -77.29, -31.2 -52.52, -36.89 APE12-dist-in 10.389 APE11-dist-in 11.4346 APE10-dist-in 5.7778 APE9-dist-in 3.8342 None None None XRAY 2.6 0.229 0.246 D 415.0 396.0 0 29 29 0 [[76, 338]] 1.0 5wne Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3NDMA Q13464 6 402 1354.0 No_ligand No_ligand Inactive DFGin 5.5977 13.0577 ABAminus -120.89, -34.04 -109.2, 148.34 -142.38, 4.69 304.49, 84.24 -63.88, 57.85 in-out in 9.0757 Saltbr-out 3.7634 HRD-in -57.38, -56.5 79.4, 26.69 out-in-in SNCoii in-in ActLoopNT-in 3.1567 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.05, 156.15 APE9-dihe-na 131.42, -138.04 APE8-dihe-in -125.51, 139.35 APE8-rot-in 275.81 APE67-dihe-in -57.52, -0.48 -48.9, -63.05 APE12-dist-in 10.485 APE11-dist-in 11.1706 APE10-dist-in 5.5088 APE9-dist-in 4.0035 None None None XRAY 3.3 0.244 0.31 A 415.0 382.0 11 29 29 0 [[76, 338]] 1.0 3ndm Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3NCZA Q13464 6 402 1354.0 3NC:60900 Type1 Inactive DFGin 6.3351 13.7746 ABAminus -116.14, -12.55 -138.55, 134.31 -126.47, 14.42 296.82, 87.82 -51.46, -39.63 in-in in 9.3064 Saltbr-in 3.5369 HRD-in -78.05, -50.28 73.4, -14.49 in-in-in SNCiii in-in ActLoopNT-in 3.1611 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -112.89, -176.36 APE9-dihe-na 133.28, -167.86 APE8-dihe-in -125.48, 134.73 APE8-rot-in 280.08 APE67-dihe-in -84.68, -47.89 -24.91, -55.61 APE12-dist-in 12.5948 APE11-dist-in 10.0721 APE10-dist-in 5.4476 APE9-dist-in 3.5513 None None None XRAY 3.0 0.259 0.328 A 415.0 397.0 0 29 29 0 [[76, 338]] 1.0 3ncz Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3NCZB Q13464 6 402 1354.0 3NC:60900 Type1 Inactive DFGin 6.1679 13.4387 ABAminus -114.85, -16.66 -131.56, 138.9 -136.04, 17.21 298.24, 65.97 -58.26, -38.43 in-in in 9.3127 Saltbr-in 2.4923 HRD-in -79.75, -44.81 74.12, -17.68 in-in-out SNCiio in-out ActLoopNT-in 2.9695 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoi APE10-dihe-na 999.0, -112.01 APE9-dihe-na -175.97, -67.78 APE8-dihe-in -149.88, 165.72 APE8-rot-out 209.54 APE67-dihe-in -50.79, -11.63 -86.98, -72.6 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 10.1427 APE9-dist-in 4.9766 None None None XRAY 3.0 0.259 0.328 B 415.0 377.0 15 29 27 2 [[76, 338]] 1.0 3ncz Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3NCZC Q13464 6 404 1354.0 3NC:60900 Type1 Inactive DFGin 5.957 13.3497 ABAminus -116.08, -7.73 -136.42, 136.67 -131.83, 24.74 306.96, 86.44 -58.54, -34.95 in-in in 9.2231 Saltbr-in 3.4913 HRD-in -83.49, -46.62 73.83, -20.27 in-in-in SNCiii in-in ActLoopNT-in 3.156 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -84.05, 125.19 APE9-dihe-na 160.07, -158.87 APE8-dihe-in -144.7, 128.84 APE8-rot-in 311.05 APE67-dihe-in -25.99, -52.32 -21.36, -99.97 APE12-dist-in 10.1876 APE11-dist-in 11.672 APE10-dist-in 5.7284 APE9-dist-in 3.5946 None None None XRAY 3.0 0.259 0.328 C 415.0 387.0 6 29 28 1 [[76, 338]] 1.0 3ncz Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3NCZD Q13464 6 402 1354.0 3NC:60900 Type1 Inactive DFGin 6.0074 13.3983 ABAminus -130.28, 7.59 -144.4, 127.27 -129.17, 19.34 304.27, 91.75 -57.04, -39.11 in-in in 9.2145 Saltbr-in 3.5626 HRD-in -74.16, -50.68 74.64, -10.85 in-in-in SNCiii in-in ActLoopNT-in 2.982 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -141.26, 158.97 APE9-dihe-na 125.95, -146.31 APE8-dihe-in -122.54, 128.42 APE8-rot-in 314.26 APE67-dihe-in -57.68, -28.69 -36.8, -72.93 APE12-dist-in 12.3984 APE11-dist-in 11.2691 APE10-dist-in 6.3433 APE9-dist-in 4.4138 None None None XRAY 3.0 0.259 0.328 D 415.0 397.0 0 29 29 0 [[76, 338]] 1.0 3ncz Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3NDMB Q13464 7 402 1354.0 3ND:60900 Type1 Inactive DFGin 5.5765 13.2915 ABAminus -135.55, -20.22 -111.5, 137.71 -126.94, 16.16 300.9, 101.92 -51.55, 28.77 in-in in 9.0542 Saltbr-in 3.1387 HRD-in -67.67, -67.76 85.4, 21.53 in-in-out SNCiio in-out ActLoopNT-in 2.7955 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -145.13, 142.73 APE9-dihe-na 132.91, -126.28 APE8-dihe-in -146.05, 131.58 APE8-rot-out 3.64 APE67-dihe-in -75.87, -9.86 -31.39, -53.34 APE12-dist-in 10.7059 APE11-dist-in 11.0971 APE10-dist-in 5.4913 APE9-dist-in 3.7819 None None None XRAY 3.3 0.244 0.31 B 415.0 396.0 0 29 29 0 [[76, 338]] 1.0 3ndm Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3NDMC Q13464 6 402 1354.0 3ND:60900 Type1 Inactive DFGin 5.9921 13.6351 ABAminus -126.83, -28.62 -112.07, 139.0 -136.27, 9.02 298.66, 85.88 -64.37, 58.3 in-in in 9.0951 Saltbr-in 2.6058 HRD-in -61.33, -59.76 82.3, 14.91 in-in-none SNCiin in-none ActLoopNT-in 2.9786 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 133.83 APE8-rot-in 289.24 APE67-dihe-in -57.51, 0.5 -55.13, -56.25 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 3.3 0.244 0.31 C 415.0 370.0 27 29 24 5 [[76, 338]] 1.0 3ndm Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3NDMD Q13464 7 402 1354.0 3ND:60900 Type1 Inactive DFGin 5.558 12.9152 ABAminus -131.86, -23.53 -116.86, 142.93 -139.56, 15.34 308.38, 98.2 -65.61, 50.23 in-in in 8.8971 Saltbr-in 3.2923 HRD-in -62.78, -65.01 82.89, 25.17 in-in-in SNCiii in-in ActLoopNT-in 2.9255 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -136.27, 144.78 APE9-dihe-na 137.32, -133.95 APE8-dihe-in -135.6, 138.94 APE8-rot-in 312.66 APE67-dihe-in -58.83, -6.42 -51.7, -57.53 APE12-dist-in 10.7261 APE11-dist-in 11.1225 APE10-dist-in 5.5252 APE9-dist-in 3.9665 None None None XRAY 3.3 0.244 0.31 D 415.0 396.0 0 29 29 0 [[76, 338]] 1.0 3ndm Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5WNFA Q13464 7 401 1354.0 B4V:60501 Type1 Inactive DFGin 6.037 13.8193 ABAminus -112.9, -18.08 -125.42, 134.15 -136.13, 27.61 308.44, 98.66 -67.13, -15.25 in-in in 9.2481 Saltbr-in 2.8496 HRD-in -71.62, -55.08 69.7, 8.34 in-in-out SNCiio in-out ActLoopNT-in 2.9829 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -130.82, 159.62 APE9-dihe-na 114.62, -153.36 APE8-dihe-in -121.99, 142.9 APE8-rot-out 46.24 APE67-dihe-in -85.9, -24.36 -50.23, -33.75 APE12-dist-in 10.8456 APE11-dist-in 11.24 APE10-dist-in 5.3801 APE9-dist-in 3.4882 None None None XRAY 2.45 0.237 0.247 A 415.0 395.0 0 29 29 0 [[76, 338]] 1.0 5wnf Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5WNFB Q13464 6 402 1354.0 B4V:60900 Type1 Inactive DFGin 6.0096 13.809 ABAminus -112.8, -19.42 -121.66, 133.79 -135.75, 27.87 308.04, 98.76 -66.99, -15.52 in-in in 9.2034 Saltbr-in 2.8294 HRD-in -56.58, -57.45 66.78, 9.49 in-in-out SNCiio in-out ActLoopNT-in 3.0197 ActLoopCT-out nonTYR APEdihe_aanoo APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -30.62 APE8-rot-out 185.84 APE67-dihe-out -96.25, -5.58 -76.73, 157.96 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.45 0.237 0.247 B 415.0 357.0 30 29 22 7 [[76, 338]] 1.0 5wnf Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5WNFC Q13464 6 402 1354.0 B4V:60900 Type1 Inactive DFGin 6.0529 13.7343 ABAminus -112.34, -18.7 -124.86, 134.18 -135.55, 28.39 308.28, 99.0 -66.12, -17.35 in-in in 9.1673 Saltbr-in 2.825 HRD-in -54.29, -57.6 67.49, 9.1 in-in-out SNCiio in-out ActLoopNT-in 3.1133 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -125.13, 155.5 APE9-dihe-na 100.24, 173.54 APE8-dihe-in -65.25, 143.72 APE8-rot-out 166.74 APE67-dihe-in -84.72, -32.31 -63.88, -30.83 APE12-dist-in 10.8664 APE11-dist-in 11.263 APE10-dist-in 5.3953 APE9-dist-in 3.7108 None None None XRAY 2.45 0.237 0.247 C 415.0 384.0 9 29 29 0 [[76, 338]] 1.0 5wnf Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5WNFD Q13464 7 402 1354.0 B4V:60900 Type1 Inactive DFGin 5.998 13.798 ABAminus -116.97, -16.71 -124.97, 134.65 -136.46, 28.19 307.91, 98.81 -65.17, -16.17 in-in in 9.2716 Saltbr-in 2.8528 HRD-in -65.28, -52.76 63.38, 9.16 in-in-in SNCiii in-in ActLoopNT-in 3.1289 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.89, 153.13 APE9-dihe-na 122.32, -150.94 APE8-dihe-in -121.83, 134.39 APE8-rot-in 304.55 APE67-dihe-in -67.21, -32.35 -51.49, -41.1 APE12-dist-in 10.448 APE11-dist-in 11.4061 APE10-dist-in 5.4979 APE9-dist-in 3.7705 None None None XRAY 2.45 0.237 0.247 D 415.0 396.0 0 29 29 0 [[76, 338]] 1.0 5wnf Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5WNGA Q13464 7 401 1354.0 B4Y:60900 Type1 Inactive DFGin 5.9773 13.5094 ABAminus -104.78, -47.26 -102.37, 133.32 -128.78, 19.38 307.6, 97.01 -57.06, -32.21 in-in in 8.8894 Saltbr-in 2.7864 HRD-in -66.26, -51.49 72.53, -8.5 in-in-out SNCiio in-out ActLoopNT-in 3.0648 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -132.53, 147.93 APE9-dihe-na 135.56, -145.58 APE8-dihe-in -132.84, 135.01 APE8-rot-out 33.77 APE67-dihe-in -86.48, -37.64 -34.31, -39.64 APE12-dist-in 11.0608 APE11-dist-in 11.3702 APE10-dist-in 5.558 APE9-dist-in 3.7032 None None None XRAY 2.9 0.231 0.25 A 415.0 395.0 0 29 29 0 [[76, 338]] 1.0 5wng Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5WNGB Q13464 6 402 1354.0 B4Y:60900 Type1 Inactive DFGin 6.1152 13.6737 ABAminus -116.66, -65.65 -74.59, 116.95 -121.4, 25.51 300.62, 111.42 -66.75, -32.14 in-in in 8.6304 Saltbr-in 2.8156 HRD-in -60.46, -50.75 69.34, -5.89 in-in-out SNCiio in-out ActLoopNT-in 2.9735 ActLoopCT-out nonTYR APEdihe_aanoo APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -49.6 APE8-rot-out 38.45 APE67-dihe-out -117.81, -1.71 -74.02, 169.26 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.9 0.231 0.25 B 415.0 364.0 23 29 22 7 [[76, 338]] 1.0 5wng Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5WNGC Q13464 6 402 1354.0 B4Y:60900 Type1 Inactive DFGin 6.2504 13.6991 ABAminus -112.13, -65.71 -71.21, 131.58 -134.73, 15.31 296.94, 115.81 -61.29, -33.48 in-in in 8.7452 Saltbr-in 2.9023 HRD-in -54.07, -49.11 68.03, -4.17 in-in-out SNCiio in-out ActLoopNT-in 3.2537 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -134.49, 151.91 APE9-dihe-na 125.81, -139.62 APE8-dihe-in -129.94, 140.76 APE8-rot-out 193.11 APE67-dihe-in -90.91, -38.38 -54.59, -19.55 APE12-dist-in 12.0255 APE11-dist-in 11.3311 APE10-dist-in 5.5058 APE9-dist-in 3.7805 None None None XRAY 2.9 0.231 0.25 C 415.0 385.0 9 29 29 0 [[76, 338]] 1.0 5wng Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5WNGD Q13464 7 402 1354.0 B4Y:60900 Type1 Inactive DFGin 5.9664 13.6482 ABAminus -112.91, -68.51 -77.11, 128.39 -125.32, 34.85 304.06, 106.91 -57.33, -48.7 in-in in 8.5818 Saltbr-in 2.8349 HRD-in -67.41, -43.54 61.42, -5.48 in-in-in SNCiii in-in ActLoopNT-in 3.0591 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -133.21, 150.67 APE9-dihe-na 129.52, -151.03 APE8-dihe-in -111.91, 139.64 APE8-rot-in 301.32 APE67-dihe-in -86.26, -34.21 -63.2, -20.63 APE12-dist-in 10.285 APE11-dist-in 11.0376 APE10-dist-in 5.1987 APE9-dist-in 3.7829 None None None XRAY 2.9 0.231 0.25 D 415.0 396.0 0 29 29 0 [[76, 338]] 1.0 5wng Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5WNHA Q13464 6 401 1354.0 B5G:60900 Type1 Inactive DFGin 6.2538 14.0842 ABAminus -126.85, -43.1 -92.25, 105.27 -105.51, 23.43 302.78, 98.53 -79.59, -3.09 in-in in 9.245 Saltbr-in 2.7983 HRD-in -66.14, -40.5 59.01, 4.04 in-in-in SNCiii in-in ActLoopNT-in 3.055 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -134.68, 140.18 APE9-dihe-na 145.92, -147.99 APE8-dihe-in -117.87, 133.55 APE8-rot-in 336.48 APE67-dihe-in -88.84, -32.74 -46.05, -33.53 APE12-dist-in 10.9974 APE11-dist-in 11.6452 APE10-dist-in 5.8257 APE9-dist-in 3.5691 None None None XRAY 3.1 0.227 0.234 A 415.0 394.0 0 29 29 0 [[76, 338]] 1.0 5wnh Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5WNHB Q13464 6 402 1354.0 B5G:60900 Type1 Inactive DFGin 6.1436 13.7802 ABAminus -129.47, -54.81 -79.68, 115.69 -121.99, 26.51 302.73, 109.7 -73.56, -13.31 in-in in 8.7049 Saltbr-in 2.8214 HRD-in -59.34, -49.1 69.57, -2.06 in-in-out SNCiio in-out ActLoopNT-in 3.304 ActLoopCT-out nonTYR APEdihe_aanio APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -48.34 APE8-rot-in 317.54 APE67-dihe-out -81.13, -17.85 -72.96, 161.08 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 3.1 0.227 0.234 B 415.0 364.0 27 29 22 7 [[76, 338]] 1.0 5wnh Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5WNHC Q13464 6 402 1354.0 B5G:60900 Type1 Inactive DFGin 6.1935 13.4672 ABAminus -129.17, -51.51 -79.99, 119.08 -126.12, 27.06 305.6, 119.19 -74.43, -19.79 in-in in 8.7563 Saltbr-in 2.8158 HRD-in -53.22, -44.09 64.75, -1.56 in-in-out SNCiio in-out ActLoopNT-in 3.3339 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -102.33, 164.22 APE9-dihe-na 88.42, -167.51 APE8-dihe-in -97.64, 151.48 APE8-rot-out 44.44 APE67-dihe-in -84.21, -19.91 -62.02, -38.65 APE12-dist-in 10.4087 APE11-dist-in 11.5939 APE10-dist-in 5.5129 APE9-dist-in 4.1566 None None None XRAY 3.1 0.227 0.234 C 415.0 386.0 9 29 29 0 [[76, 338]] 1.0 5wnh Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5WNHD Q13464 6 402 1354.0 B5G:60900 Type1 Inactive DFGin 5.9608 13.8468 ABAminus -129.74, -51.1 -87.04, 108.6 -110.61, 24.81 306.94, 102.01 -68.9, -6.61 in-in in 8.7893 Saltbr-in 2.8147 HRD-in -59.28, -47.58 67.24, -1.66 in-in-in SNCiii in-in ActLoopNT-in 3.2611 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.57, 150.52 APE9-dihe-na 117.79, -157.18 APE8-dihe-in -100.56, 138.22 APE8-rot-in 307.58 APE67-dihe-in -71.46, -24.96 -63.42, -32.46 APE12-dist-in 10.6366 APE11-dist-in 11.1822 APE10-dist-in 5.3254 APE9-dist-in 4.1717 None None None XRAY 3.1 0.227 0.234 D 415.0 397.0 0 29 29 0 [[76, 338]] 1.0 5wnh Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 6E9WA Q13464 9 404 1354.0 J0P:501 Type1 Inactive DFGin 5.9399 12.9073 ABAminus -138.73, -20.79 -111.43, 114.1 -109.17, 19.11 307.72, 100.2 -59.06, -19.52 in-in in 8.7399 Saltbr-in 2.8039 HRD-in -69.49, -44.89 71.41, -17.92 in-in-in SNCiii in-in ActLoopNT-in 3.0534 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.98, 148.51 APE9-dihe-na 125.0, -143.28 APE8-dihe-in -119.0, 136.17 APE8-rot-in 293.48 APE67-dihe-in -80.63, -46.93 -50.48, -33.35 APE12-dist-in 11.4614 APE11-dist-in 11.3244 APE10-dist-in 5.6173 APE9-dist-in 4.16 None None None XRAY 2.96 0.197 0.255 A 443.0 383.0 5 29 29 0 [[76, 338]] 1.0 6e9w Homo sapiens AGC_ROCK1_HUMAN AGC 4.2e-94 320.5 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 6E9WB Q13464 7 401 1354.0 J0P:501 Type1 Inactive DFGin 6.1308 13.2322 ABAminus -138.25, -17.0 -112.71, 103.23 -100.64, 12.5 302.93, 104.22 -62.68, -19.69 in-in in 8.5718 Saltbr-in 2.8586 HRD-in -74.05, -53.13 88.59, -33.91 in-in-out SNCiio in-out ActLoopNT-in 3.0303 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioo APE10-dihe-na -80.59, -50.75 APE9-dihe-na 100.48, -142.0 APE8-dihe-in -66.64, 110.65 APE8-rot-in 303.29 APE67-dihe-in -27.98, -53.24 -75.85, -16.15 APE12-dist-in 9.3672 APE11-dist-in 11.627 APE10-dist-out 9.9117 APE9-dist-out 10.033 None None None XRAY 2.96 0.197 0.255 B 443.0 380.0 9 29 29 0 [[76, 338]] 1.0 6e9w Homo sapiens AGC_ROCK1_HUMAN AGC 4.2e-94 320.5 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 7S26D Q13464 6 399 1354.0 No_ligand No_ligand Inactive DFGin 5.7405 13.3927 BLAminus -135.63, 169.88 65.28, 102.89 -126.18, 46.78 310.06, 94.0 -59.95, -48.52 in-in in 8.6087 Saltbr-in 2.7125 HRD-out -94.12, 104.52 -83.22, 26.33 in-in-none SNCiin in-none ActLoopNT-in 3.2242 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 999.0, 999.0 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.744 0.247 0.269 D 398.0 256.0 101 29 6 23 [[76, 338]] 1.0 7s26 Homo sapiens AGC_ROCK1_HUMAN AGC 3.1e-94 320.9 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 8ZH5A Q13464 6 402 1354.0 No_ligand No_ligand Inactive DFGin 6.2008 13.8119 BLAminus -163.2, 177.92 63.74, 56.57 -85.06, 72.84 297.86, 127.64 -89.2, 164.53 in-in in 8.8827 Saltbr-in 3.084 HRD-out -68.24, 147.42 -129.11, 149.32 in-in-none SNCiin in-none ActLoopNT-in 3.1109 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -101.61, -8.47 999.0, -57.9 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 3.7 0.211 0.26 A 414.0 381.0 16 29 24 5 [[76, 338]] 1.0 8zh5 Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 7S26A Q13464 6 401 1354.0 86K:60502 Type1 Inactive DFGin 6.0727 13.2538 BLAminus -148.44, 169.09 78.33, 71.17 -104.66, 28.05 312.23, 117.85 -62.26, -27.27 in-in in 8.5126 Saltbr-in 2.7426 HRD-in -60.15, -37.69 63.03, -7.84 in-in-out SNCiio in-out ActLoopNT-in 3.1636 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 146.5 APE8-rot-out 189.11 APE67-dihe-in -62.34, -32.49 -61.49, -27.14 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.744 0.247 0.269 A 398.0 387.0 9 29 23 6 [[76, 338]] 1.0 7s26 Homo sapiens AGC_ROCK1_HUMAN AGC 3.1e-94 320.9 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3TV7A Q13464 9 402 1354.0 07Q:1 Type1 Inactive DFGin 6.1406 13.4622 BLAminus -126.35, -171.09 45.97, 69.47 -88.78, 8.65 301.41, 82.65 -54.6, -19.4 in-in in 8.7491 Saltbr-in 2.5658 HRD-out -65.46, -38.18 49.28, -142.26 in-in-out SNCiio in-out ActLoopNT-in 2.7702 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iiio APE10-dihe-na -117.48, 157.83 APE9-dihe-na -63.36, -178.67 APE8-dihe-out 60.06, 84.52 APE8-rot-out 58.98 APE67-dihe-in -61.64, -35.43 -43.45, -41.95 APE12-dist-in 11.2393 APE11-dist-in 11.898 APE10-dist-in 6.0244 APE9-dist-out 8.3764 None None None XRAY 2.75 0.205 0.253 A 410.0 394.0 0 29 29 0 [[76, 338]] 1.0 3tv7 Homo sapiens AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3TV7B Q13464 6 402 1354.0 07Q:2 Type1 Inactive DFGin 5.8574 13.2 BLAminus -126.47, -172.51 48.84, 75.23 -91.42, 11.14 311.64, 99.6 -51.14, -22.86 in-in in 8.6012 Saltbr-in 2.8316 HRD-in -67.51, -48.56 77.38, -23.22 in-in-out SNCiio in-out ActLoopNT-in 2.796 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_oioo APE10-dihe-na -129.19, 116.98 APE9-dihe-na -63.15, 117.97 APE8-dihe-out 61.18, 138.65 APE8-rot-out 58.98 APE67-dihe-in -71.45, -48.06 -97.86, 39.1 APE12-dist-out 6.2956 APE11-dist-in 10.3719 APE10-dist-out 8.7345 APE9-dist-out 9.9928 None None None XRAY 2.75 0.205 0.253 B 410.0 397.0 0 29 29 0 [[76, 338]] 1.0 3tv7 Homo sapiens AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3TV7C Q13464 9 402 1354.0 07Q:3 Type1 Inactive DFGin 5.9954 13.0575 BLAminus -112.83, -173.21 51.38, 70.56 -91.09, 10.07 312.0, 83.09 -58.15, -16.34 in-in in 8.6464 Saltbr-in 2.6029 HRD-out -60.51, -40.04 50.0, -144.78 in-in-out SNCiio in-out ActLoopNT-in 2.8678 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iiio APE10-dihe-na -114.03, 172.25 APE9-dihe-na -61.19, 179.57 APE8-dihe-out 57.96, 81.04 APE8-rot-in 298.99 APE67-dihe-in -60.89, -34.02 -49.59, -35.58 APE12-dist-in 10.4112 APE11-dist-in 11.8316 APE10-dist-in 5.904 APE9-dist-out 7.9512 None None None XRAY 2.75 0.205 0.253 C 410.0 394.0 0 29 29 0 [[76, 338]] 1.0 3tv7 Homo sapiens AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3TV7D Q13464 6 402 1354.0 07Q:4 Type1 Inactive DFGin 6.0098 13.3878 BLAminus -132.56, -173.08 50.96, 76.18 -95.18, 10.41 310.62, 100.91 -52.21, -21.09 in-in in 8.6226 Saltbr-in 2.9696 HRD-in -71.89, -52.06 76.5, -19.27 in-in-out SNCiio in-out ActLoopNT-in 2.7466 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oioo APE10-dihe-na -125.31, 112.9 APE9-dihe-na -69.4, 112.01 APE8-dihe-out 62.52, 139.7 APE8-rot-in 314.53 APE67-dihe-in -45.86, -52.51 -76.31, -19.81 APE12-dist-out 5.5561 APE11-dist-in 10.0551 APE10-dist-out 9.4481 APE9-dist-out 9.1763 None None None XRAY 2.75 0.205 0.253 D 410.0 397.0 0 29 29 0 [[76, 338]] 1.0 3tv7 Homo sapiens AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3V8SA Q13464 8 402 1354.0 0HD:501 Type1 Inactive DFGin 6.1436 13.3651 BLAminus -131.47, 179.47 60.6, 71.6 -93.5, 10.81 305.1, 96.77 -59.12, -15.76 in-in in 8.8039 Saltbr-in 2.7424 HRD-in -66.59, -53.55 76.27, -10.47 in-in-out SNCiio in-out ActLoopNT-in 2.9866 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -127.49, 177.7 APE9-dihe-na 96.83, -154.47 APE8-dihe-in -129.74, 143.67 APE8-rot-out 110.69 APE67-dihe-in -64.74, -31.71 -49.91, -44.47 APE12-dist-in 10.402 APE11-dist-in 11.7757 APE10-dist-in 5.941 APE9-dist-in 3.727 None None None XRAY 2.286 0.188 0.236 A 410.0 395.0 0 29 29 0 [[76, 338]] 1.0 3v8s Homo sapiens AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3V8SB Q13464 6 402 1354.0 0HD:501 Type1 Inactive DFGin 6.3126 13.6485 BLAminus -129.24, 179.74 58.53, 76.73 -94.51, 12.02 303.63, 98.77 -47.53, -31.19 in-in in 8.8257 Saltbr-in 3.2786 HRD-in -71.19, -49.28 79.11, -22.55 in-in-out SNCiio in-out ActLoopNT-in 2.9755 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiio APE10-dihe-na -114.6, -175.49 APE9-dihe-na -78.94, -129.14 APE8-dihe-in -42.78, 130.14 APE8-rot-in 309.49 APE67-dihe-in -49.83, -43.8 -72.71, -13.77 APE12-dist-out 6.6758 APE11-dist-in 10.1936 APE10-dist-in 7.0626 APE9-dist-out 9.4072 None None None XRAY 2.286 0.188 0.236 B 410.0 397.0 0 29 29 0 [[76, 338]] 1.0 3v8s Homo sapiens AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3V8SC Q13464 8 402 1354.0 0HD:501 Type1 Inactive DFGin 6.2295 13.4802 BLAminus -131.94, 178.46 61.35, 70.46 -92.71, 10.99 301.74, 97.6 -57.75, -20.03 in-in in 8.7886 Saltbr-in 2.919 HRD-in -68.58, -53.3 74.86, -10.72 in-in-out SNCiio in-out ActLoopNT-in 2.9314 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -128.32, 170.47 APE9-dihe-na 100.83, -158.56 APE8-dihe-in -121.14, 144.0 APE8-rot-out 104.69 APE67-dihe-in -65.81, -32.6 -49.38, -42.89 APE12-dist-in 10.3225 APE11-dist-in 11.7298 APE10-dist-in 5.8769 APE9-dist-in 3.799 None None None XRAY 2.286 0.188 0.236 C 410.0 395.0 0 29 29 0 [[76, 338]] 1.0 3v8s Homo sapiens AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3V8SD Q13464 6 402 1354.0 0HD:501 Type1 Inactive DFGin 6.2745 13.6806 BLAminus -134.51, 177.57 58.27, 76.4 -93.55, 11.58 303.68, 94.09 -46.72, -30.67 in-in in 8.8866 Saltbr-in 3.2291 HRD-in -77.06, -45.91 77.83, -23.23 in-in-out SNCiio in-out ActLoopNT-in 2.8603 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioo APE10-dihe-na -92.44, 115.48 APE9-dihe-na -69.73, -64.71 APE8-dihe-in -105.78, 124.29 APE8-rot-in 283.0 APE67-dihe-in -50.65, -45.32 -72.98, -15.17 APE12-dist-in 7.3821 APE11-dist-in 10.1944 APE10-dist-out 9.1232 APE9-dist-out 9.3523 None None None XRAY 2.286 0.188 0.236 D 410.0 397.0 0 29 29 0 [[76, 338]] 1.0 3v8s Homo sapiens AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 7JOUA Q13464 9 402 1354.0 VFS:4000 Type1 Inactive DFGin 5.9959 13.3389 BLAminus -143.11, 174.9 56.51, 84.53 -111.27, 42.13 313.94, 101.63 -66.46, -29.86 in-in in 8.5845 Saltbr-in 2.6486 HRD-in -50.19, -37.76 57.05, 15.82 in-in-out SNCiio in-out ActLoopNT-in 3.2049 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -96.97, 107.53 APE9-dihe-na 156.7, 175.62 APE8-dihe-in -79.94, 144.48 APE8-rot-out 53.34 APE67-dihe-in -106.84, -34.67 -68.39, -2.9 APE12-dist-in 11.1521 APE11-dist-in 12.0952 APE10-dist-in 6.1966 APE9-dist-in 3.9409 None None None XRAY 3.318 0.218 0.248 A 413.0 388.0 6 29 29 0 [[76, 338]] 1.0 7jou Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 2ESMB Q13464 6 402 1354.0 M77:60416 Type1 Inactive DFGin 6.061 13.6372 BLAminus -120.7, -179.63 48.01, 93.78 -115.66, 13.56 300.62, 93.21 -64.59, 23.21 in-in in 8.6995 Saltbr-in 2.8089 HRD-in -64.68, -48.55 75.56, -17.87 in-in-out SNCiio in-out ActLoopNT-in 3.2022 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iioo APE10-dihe-na -120.49, 130.15 APE9-dihe-na -108.34, 137.67 APE8-dihe-out 42.68, 79.42 APE8-rot-out 61.99 APE67-dihe-in -35.68, -40.73 -70.2, -8.79 APE12-dist-in 8.4022 APE11-dist-in 12.1461 APE10-dist-out 11.1177 APE9-dist-out 9.3488 None None None XRAY 3.2 0.245 0.269 B 415.0 397.0 0 29 29 0 [[76, 338]] 1.0 2esm Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 2ETKB Q13464 6 402 1354.0 HFS:60416 Type1 Inactive DFGin 6.0988 14.0359 BLAminus -119.07, 154.83 65.29, 101.07 -117.09, 36.18 302.09, 93.41 -68.48, -4.85 in-in in 9.0892 Saltbr-in 3.243 HRD-in -65.95, -45.05 68.6, -11.17 in-in-out SNCiio in-out ActLoopNT-in 3.2092 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iioo APE10-dihe-na -71.16, 135.51 APE9-dihe-na -102.49, 125.46 APE8-dihe-out 53.01, 88.66 APE8-rot-out 64.43 APE67-dihe-in -46.44, -46.86 -71.84, 0.84 APE12-dist-in 8.5086 APE11-dist-in 12.7455 APE10-dist-out 10.6258 APE9-dist-out 9.2018 None None None XRAY 2.96 0.278 0.298 B 415.0 397.0 0 29 29 0 [[76, 338]] 1.0 2etk Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 2ETRB Q13464 6 402 1354.0 Y27:60416 Type1 Inactive DFGin 5.8642 13.4794 BLAminus -117.79, 150.58 66.33, 120.21 -134.86, 36.11 306.16, 88.12 -76.52, 0.93 in-in in 8.6856 Saltbr-in 2.7524 HRD-in -64.78, -48.06 73.52, -11.25 in-in-out SNCiio in-out ActLoopNT-in 3.1344 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iioo APE10-dihe-na -133.18, 138.43 APE9-dihe-na -103.78, 137.39 APE8-dihe-out 35.65, 91.86 APE8-rot-out 53.99 APE67-dihe-in -36.65, -43.6 -71.33, -4.49 APE12-dist-in 8.9107 APE11-dist-in 12.3333 APE10-dist-out 10.993 APE9-dist-out 9.4207 None None None XRAY 2.6 0.252 0.266 B 415.0 397.0 0 29 29 0 [[76, 338]] 1.0 2etr Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3D9VB Q13464 6 402 1354.0 H52:60416 Type1 Inactive DFGin 6.2327 14.2848 BLAminus -106.4, 155.82 65.21, 114.96 -130.45, 38.78 300.73, 91.97 -71.81, 5.36 in-in in 9.2841 Saltbr-in 3.3613 HRD-in -72.68, -45.11 70.15, -5.49 in-in-out SNCiio in-out ActLoopNT-in 3.348 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iioo APE10-dihe-na -129.14, 113.22 APE9-dihe-na -106.7, 121.13 APE8-dihe-out 49.67, 80.41 APE8-rot-out 65.01 APE67-dihe-in -69.09, -34.75 -74.38, 9.95 APE12-dist-in 8.6261 APE11-dist-in 11.9902 APE10-dist-out 12.6467 APE9-dist-out 8.6016 None None None XRAY 3.3 0.262 0.28 B 415.0 397.0 0 29 29 0 [[76, 338]] 1.0 3d9v Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 4YVCB Q13464 6 402 1354.0 4KH:60501 Type1 Inactive DFGin 5.9866 13.03 BLAminus -134.48, 170.05 59.86, 81.37 -101.66, 32.67 304.4, 103.91 -59.54, -31.24 in-in in 8.0767 Saltbr-in 2.8763 HRD-in -67.8, -48.64 81.06, -11.79 in-in-out SNCiio in-out ActLoopNT-in 3.0338 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -102.76, 137.3 APE9-dihe-na -116.91, 99.15 APE8-dihe-out 69.44, 93.76 APE8-rot-in 303.49 APE67-dihe-in -38.38, -37.91 -75.8, -10.12 APE12-dist-in 8.3297 APE11-dist-in 11.8443 APE10-dist-out 10.6438 APE9-dist-out 9.5203 None None None XRAY 3.2 0.193 0.221 B 415.0 391.0 0 29 29 0 [[76, 338]] 1.0 4yvc Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 4YVEB Q13464 6 402 1354.0 4KK:60501 Type1 Inactive DFGin 5.9485 13.0345 BLAminus -142.15, 177.6 55.83, 66.0 -91.48, 48.79 310.94, 106.94 -71.74, -55.62 in-in in 8.4015 Saltbr-in 2.7056 HRD-in -79.37, -42.41 80.29, -49.62 in-in-out SNCiio in-out ActLoopNT-in 3.013 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iiio APE10-dihe-na -118.45, 127.42 APE9-dihe-na -99.77, 159.7 APE8-dihe-out 61.11, 72.27 APE8-rot-in 329.33 APE67-dihe-in -42.85, -44.14 -72.95, -1.39 APE12-dist-in 8.1935 APE11-dist-in 11.937 APE10-dist-in 7.8012 APE9-dist-out 10.5375 None None None XRAY 3.4 0.219 0.244 B 415.0 392.0 0 29 29 0 [[76, 338]] 1.0 4yve Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5BMLB Q13464 6 402 1354.0 4TW:60501 Type1 Inactive DFGin 6.1679 12.813 BLAminus -147.33, 171.63 63.14, 85.86 -106.59, 29.54 304.93, 104.29 -62.75, -25.28 in-in in 8.1657 Saltbr-in 3.0671 HRD-in -63.43, -48.76 84.09, -44.69 in-in-out SNCiio in-out ActLoopNT-in 2.958 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -95.23, 140.75 APE9-dihe-na -114.06, 93.2 APE8-dihe-out 74.29, 102.13 APE8-rot-in 315.97 APE67-dihe-in -37.39, -45.07 -85.5, -0.43 APE12-dist-in 8.4795 APE11-dist-in 11.9013 APE10-dist-out 10.1379 APE9-dist-out 10.2327 None None None XRAY 2.95 0.207 0.235 B 415.0 394.0 0 29 29 0 [[76, 338]] 1.0 5bml Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5UZJB Q13464 6 402 1354.0 8UV:60501 Type1 Inactive DFGin 6.1932 13.2335 BLAminus -141.66, 165.11 62.71, 74.36 -91.14, 38.13 303.19, 107.23 -56.15, -61.3 in-in in 8.556 Saltbr-in 2.6692 HRD-in -70.32, -41.49 73.65, -34.67 in-in-out SNCiio in-out ActLoopNT-in 2.9318 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -71.09, 138.52 APE9-dihe-na -78.02, -115.28 APE8-dihe-in -91.0, 118.08 APE8-rot-out 62.39 APE67-dihe-in -38.15, -42.63 -62.29, -19.27 APE12-dist-in 8.5087 APE11-dist-in 11.3479 APE10-dist-out 10.7423 APE9-dist-out 9.8493 None None None XRAY 3.3 0.202 0.241 B 415.0 385.0 6 29 29 0 [[76, 338]] 1.0 5uzj Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3TWJA Q13464 7 402 1354.0 07R:1 Type1.5_Back Inactive DFGin 5.6996 13.1646 BLAminus -143.98, -170.74 43.72, 70.92 -91.2, 6.87 296.12, 123.32 -47.0, -46.98 in-in in 8.5649 Saltbr-in 2.7231 HRD-out -68.6, -38.18 61.09, 82.09 in-in-out SNCiio in-out ActLoopNT-in 3.1501 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -137.63, -171.58 APE9-dihe-na -153.4, 162.36 APE8-dihe-out 59.85, 72.82 APE8-rot-in 311.01 APE67-dihe-in -44.17, -44.94 -71.0, -20.06 APE12-dist-in 7.7426 APE11-dist-in 11.2172 APE10-dist-out 8.6376 APE9-dist-out 9.8121 None None None XRAY 2.9 0.224 0.289 A 410.0 396.0 0 29 29 0 [[76, 338]] 1.0 3twj Homo sapiens AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5HVUB Q13464 6 402 1354.0 65R:60501 Type1.5_Front Inactive DFGin 6.027 12.9745 BLAminus -150.94, 172.97 62.5, 81.89 -105.96, 31.62 305.32, 102.48 -65.13, -10.17 in-in in 8.313 Saltbr-in 2.9377 HRD-in -68.69, -52.17 76.83, -16.13 in-in-out SNCiio in-out ActLoopNT-in 2.9347 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 133.5 APE8-rot-out 85.32 APE67-dihe-in -36.29, -45.18 -89.86, -8.53 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.8 0.239 0.248 B 415.0 393.0 4 29 25 4 [[76, 338]] 1.0 5hvu Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5KKSB Q13464 6 402 1354.0 6U1:60501 Type1.5_Front Inactive DFGin 6.1398 13.3356 BLAminus -142.66, 177.11 58.73, 60.85 -80.32, 21.73 304.44, 101.0 -56.11, -39.34 in-in in 8.227 Saltbr-in 2.7464 HRD-in -68.72, -42.28 78.49, -44.71 in-in-out SNCiio in-out ActLoopNT-in 3.0698 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iioo APE10-dihe-na -104.48, 133.16 APE9-dihe-na -95.73, 130.38 APE8-dihe-out 63.66, 89.81 APE8-rot-out 67.34 APE67-dihe-in -44.41, -53.62 -78.83, 5.04 APE12-dist-in 8.7146 APE11-dist-in 12.1744 APE10-dist-out 8.6492 APE9-dist-out 10.2132 None None None XRAY 3.3 0.215 0.254 B 415.0 394.0 0 29 29 0 [[76, 338]] 1.0 5kks Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5KKTB Q13464 6 402 1354.0 6U2:60501 Type1.5_Front Inactive DFGin 6.3063 13.5992 BLAminus -130.02, -177.11 50.1, 80.15 -95.96, 18.23 299.48, 98.02 -62.02, -10.47 in-in in 8.8895 Saltbr-in 2.7797 HRD-in -68.38, -47.41 71.48, -14.73 in-in-out SNCiio in-out ActLoopNT-in 3.0727 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iioo APE10-dihe-na -110.61, 86.79 APE9-dihe-na -63.17, 97.09 APE8-dihe-out 74.12, 110.85 APE8-rot-in 316.95 APE67-dihe-in -53.36, -37.05 -91.57, 10.0 APE12-dist-in 8.4324 APE11-dist-in 11.3574 APE10-dist-out 10.1986 APE9-dist-out 9.4216 None None None XRAY 2.8 0.223 0.237 B 415.0 393.0 0 29 29 0 [[76, 338]] 1.0 5kkt Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 7S26C Q13464 8 402 1354.0 86K:60501 Type1 Inactive DFGin 5.9502 13.3697 BLBminus -142.33, 179.72 55.18, 85.73 -101.52, 145.33 303.83, 102.55 -56.13, 999.0 in-in in 8.6394 Saltbr-in 2.7444 HRD-in -63.89, -36.06 71.41, -31.82 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 145.87 APE8-rot-out 190.89 APE67-dihe-in -62.24, -33.76 -58.59, -27.8 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.744 0.247 0.269 C 398.0 363.0 18 29 11 18 [[76, 338]] 1.0 7s26 Homo sapiens AGC_ROCK1_HUMAN AGC 3.1e-94 320.9 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3TWJC Q13464 7 402 1354.0 07R:2 Type1 Inactive DFGin 8.7595 16.2726 None -145.99, 165.67 60.97, 69.02 -57.54, -10.47 212.34, 59.8 -68.93, 18.62 in-out in 7.7943 Saltbr-out 3.8223 HRD-in -73.44, -64.4 76.54, -16.94 out-out-out SNCooo out-out ActLoopNT-out 3.6487 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oiio APE10-dihe-na -174.55, 155.89 APE9-dihe-na -163.77, 151.18 APE8-dihe-out 67.81, 65.3 APE8-rot-in 318.87 APE67-dihe-in -61.73, -42.12 -68.66, -9.31 APE12-dist-out 6.7625 APE11-dist-in 8.2184 APE10-dist-in 6.2456 APE9-dist-out 9.0493 None None None XRAY 2.9 0.224 0.289 C 410.0 396.0 0 29 29 0 [[76, 338]] 1.0 3twj Homo sapiens AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3TWJB Q13464 8 402 1354.0 No_ligand No_ligand Inactive DFGinter 10.8149 7.2948 None -140.02, 177.72 -138.03, 117.9 -134.18, -179.7 267.51, 14.98 -75.11, 143.68 in-in in 8.0422 Saltbr-in 3.5621 HRD-in -70.23, -44.84 80.45, -14.54 in-out-out SNCioo out-out ActLoopNT-out 20.3746 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioi APE10-dihe-na -116.17, 145.08 APE9-dihe-na 57.93, -141.29 APE8-dihe-in -142.15, 148.38 APE8-rot-out 101.8 APE67-dihe-in -61.61, -39.57 -51.91, -51.11 APE12-dist-in 11.7872 APE11-dist-in 13.034 APE10-dist-out 12.3155 APE9-dist-in 4.1957 None None None XRAY 2.9 0.224 0.289 B 410.0 395.0 0 29 29 0 [[76, 338]] 1.0 3twj Homo sapiens AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 3TWJD Q13464 8 402 1354.0 No_ligand No_ligand Inactive DFGinter 10.7901 6.9272 None -126.16, 176.03 -134.68, 123.87 -143.34, -165.47 284.96, 15.3 -95.64, -168.75 in-in in 8.2573 Saltbr-in 2.9431 HRD-in -49.62, -47.32 79.16, -22.55 in-out-out SNCioo out-out ActLoopNT-out 20.3967 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioi APE10-dihe-na 45.48, 65.51 APE9-dihe-na 78.31, -176.86 APE8-dihe-in -88.74, 143.63 APE8-rot-out 17.15 APE67-dihe-in -61.11, -33.54 -55.29, -47.59 APE12-dist-in 9.9928 APE11-dist-in 10.7771 APE10-dist-out 10.9452 APE9-dist-in 5.2972 None None None XRAY 2.9 0.224 0.289 D 410.0 395.0 0 29 29 0 [[76, 338]] 1.0 3twj Homo sapiens AGC_ROCK1_HUMAN AGC 3.4e-94 320.8 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 7S25A Q13464 7 401 1354.0 86G:504 Type1 Inactive DFGout 12.3182 10.5395 None -104.78, 156.55 -123.71, 119.26 -167.75, -177.1 52.05, 88.34 -122.16, 999.0 in-in in 8.4534 Saltbr-in 2.7603 HRD-in -48.48, -35.86 65.44, -17.99 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -126.37 APE8-dihe-in -84.85, 138.74 APE8-rot-in 343.84 APE67-dihe-in -53.73, -33.25 -65.56, -53.04 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 6.1051 None None None XRAY 2.337 0.24 0.271 A 396.0 373.0 22 29 12 17 [[76, 338]] 1.0 7s25 Homo sapiens AGC_ROCK1_HUMAN AGC 3e-94 320.9 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 7S25B Q13464 8 402 1354.0 86G:501 Type1 Inactive DFGout 12.1606 10.1444 None -102.96, 170.2 -133.51, 102.53 -164.51, 160.19 55.37, 93.46 -104.18, 142.28 in-in in 8.6472 Saltbr-in 2.7102 HRD-in -64.3, -54.36 69.65, -10.64 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioo APE10-dihe-na -102.96, -6.09 APE9-dihe-na 73.94, -123.45 APE8-dihe-in -79.15, 120.74 APE8-rot-in 312.82 APE67-dihe-in -46.47, -33.29 -85.89, -15.42 APE12-dist-in 11.3205 APE11-dist-in 11.3061 APE10-dist-out 9.4116 APE9-dist-out 8.4049 None None None XRAY 2.337 0.24 0.271 B 396.0 379.0 12 29 17 12 [[76, 338]] 1.0 7s25 Homo sapiens AGC_ROCK1_HUMAN AGC 3e-94 320.9 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 7S25C Q13464 13 402 1354.0 86G:501 Type1 Inactive DFGout 12.6929 10.5438 None -104.89, 170.47 -133.65, 98.69 -152.01, 158.42 54.9, 83.0 -75.12, 999.0 in-in in 8.5051 Saltbr-in 2.7988 HRD-in -63.41, -47.95 72.04, -26.33 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 89.67 APE8-rot-out 72.08 APE67-dihe-in -54.43, -34.25 -48.72, -39.85 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.337 0.24 0.271 C 396.0 361.0 18 29 11 18 [[76, 338]] 1.0 7s25 Homo sapiens AGC_ROCK1_HUMAN AGC 3e-94 320.9 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 7S25D Q13464 9 401 1354.0 No_ligand No_ligand Inactive None 999.0 999.0 None -105.32, 999.0 999.0, 999.0 999.0, 999.0 999.0, 999.0 999.0, 999.0 in-in in 8.4721 Saltbr-in 2.7334 HRD-in -82.09, -47.81 61.94, 11.48 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none 999.0, 999.0 999.0, 999.0 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.337 0.24 0.271 D 396.0 257.0 113 29 0 29 [[76, 338]] 1.0 7s25 Homo sapiens AGC_ROCK1_HUMAN AGC 3e-94 320.9 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 7S26B Q13464 6 402 1354.0 86K:60502 Type1 None DFGin 5.8942 13.4657 BLAminus -142.81, 170.64 62.27, 84.33 -99.22, -25.13 305.67, 98.88 -149.72, 999.0 in-in in 8.6936 Saltbr-in 2.7317 HRD-in -65.9, -38.81 79.64, -62.78 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -60.9, -32.72 999.0, -32.35 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.744 0.247 0.269 B 398.0 372.0 19 29 10 19 [[76, 338]] 1.0 7s26 Homo sapiens AGC_ROCK1_HUMAN AGC 3.1e-94 320.9 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1
ROCK1 ROCK1_HUMAN 5WNEB Q13464 6 402 1354.0 B4J:60900 Type1.5_Front None DFGin 6.1578 13.4294 BLAminus -143.39, 177.51 52.52, 73.92 -94.42, 17.67 303.21, 98.37 -69.6, 5.07 in-in in 8.3856 Saltbr-in 2.8488 HRD-in -60.97, -51.26 69.54, -7.09 in-in-none SNCiin in-none ActLoopNT-in 3.2345 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -78.48, -24.9 999.0, -22.84 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.6 0.229 0.246 B 415.0 351.0 34 29 20 9 [[76, 338]] 1.0 5wne Homo sapiens AGC_ROCK1_HUMAN AGC 3.5e-94 320.7 1.0 260.0 260.0 215 216 217 219 221 105 124 128 195 197 196 198.0 260 244 239 238 237 236 235 234 233 154 Rho-associated protein kinase 1

AGC_ROCK1 (Rho-associated protein kinase 1)

Total number of chains: 0
Active chains: 0
Spatial label Dihedral label Number of Chains Percent Representative

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Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ
DFG-Asp
φ,ψ
DFG-Phe
φ,ψ
DFG-Phe
χ1,χ2
DFG-Gly
φ,ψ
ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Species Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name