Ligand: 3J7

Total number of chains: 4
Active chains: 4
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 4W7PA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

Group 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 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
AGC 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 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
AGC 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 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
AGC 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 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
AGC 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 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

Ligand: 3J7

Total number of chains: 4
Active chains: 4
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 4W7PA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

Group 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
AGC 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
AGC 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
AGC 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
AGC 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

Ligand: 3J7

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

Group 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