Ligand: B4Y

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 4 100.0% 5WNGA
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 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
AGC 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 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 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 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 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 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

Ligand: B4Y

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 4 100.0% 5WNGA
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 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
AGC 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
AGC 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
AGC 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

Ligand: B4Y

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