Ligand: Z8O

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 4 100.0% 8GDSC
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 ROCK2 ROCK2_HUMAN 8GDSA O75116 24 417 1388.0 Z8O:501 Type1 Inactive DFGout 14.304 9.3951 BBAminus -113.16, 143.54 -102.55, 117.32 -102.58, 29.06 302.77, 145.94 110.64, 5.22 out-out out 15.0791 Saltbr-out 13.9655 HRD-in -62.18, -48.44 83.82, -31.03 out-in-out SNCoio in-out ActLoopNT-in 2.8932 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooo APE10-dihe-na -67.31, -53.4 APE9-dihe-na 75.32, -130.78 APE8-dihe-in -73.21, 128.78 APE8-rot-in 285.89 APE67-dihe-in -37.36, -36.42 -96.83, -9.21 APE12-dist-none 999.0 APE11-dist-out 7.2565 APE10-dist-out 9.8509 APE9-dist-out 9.4071 None None None XRAY 2.71 0.218 0.248 A 396.0 384.0 6 29 27 2 [[92, 354]] 1.0 8gds AGC_ROCK2_HUMAN AGC 2.3e-93 318.0 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2
AGC ROCK2 ROCK2_HUMAN 8GDSB O75116 24 417 1388.0 Z8O:501 Type1 Inactive DFGout 14.3904 9.5098 BBAminus -111.96, 142.39 -102.56, 118.41 -101.87, 25.6 301.02, 146.14 115.08, 0.13 out-none out 14.9022 Saltbr-none 999.0 HRD-in -65.01, -47.29 71.28, -3.57 none-in-out SNCnio in-out ActLoopNT-in 2.8585 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooo APE10-dihe-na -134.25, 147.87 APE9-dihe-na -136.74, -95.28 APE8-dihe-in -67.87, 115.24 APE8-rot-in 324.97 APE67-dihe-in -41.62, -33.28 -83.99, -16.64 APE12-dist-none 999.0 APE11-dist-out 5.672 APE10-dist-out 9.8535 APE9-dist-out 8.9466 None None None XRAY 2.71 0.218 0.248 B 396.0 384.0 6 29 26 3 [[92, 354]] 1.0 8gds AGC_ROCK2_HUMAN AGC 2.3e-93 318.0 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2
AGC ROCK2 ROCK2_HUMAN 8GDSC O75116 24 417 1388.0 Z8O:501 Type1 Inactive DFGout 14.4465 9.4014 BBAminus -113.01, 140.92 -102.45, 117.72 -102.11, 26.89 300.53, 146.18 115.19, 0.27 out-none out 14.9991 Saltbr-none 999.0 HRD-in -64.56, -46.59 70.99, -5.08 none-in-out SNCnio in-out ActLoopNT-in 2.8871 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -88.19 APE8-dihe-in -78.06, 129.88 APE8-rot-out 60.88 APE67-dihe-in -45.28, -34.19 -66.72, -39.76 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 6.4794 None None None XRAY 2.71 0.218 0.248 C 396.0 385.0 5 29 25 4 [[92, 354]] 1.0 8gds AGC_ROCK2_HUMAN AGC 2.3e-93 318.0 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2
AGC ROCK2 ROCK2_HUMAN 8GDSD O75116 24 417 1388.0 Z8O:501 Type1.5_Front Inactive DFGout 14.5096 9.5483 BBAminus -103.86, 141.89 -103.51, 117.86 -102.63, 25.16 306.33, 142.76 108.24, 20.62 out-none out 14.9691 Saltbr-none 999.0 HRD-in -60.5, -48.74 68.07, -4.31 none-in-none SNCnin in-none ActLoopNT-in 2.9124 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnii APE10-dihe-na 999.0, 89.84 APE9-dihe-na 170.11, -172.34 APE8-dihe-in -98.69, 124.47 APE8-rot-in 291.85 APE67-dihe-in -51.67, -33.01 -41.58, -52.55 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-in 6.1219 APE9-dist-in 4.5167 None None None XRAY 2.71 0.218 0.248 D 396.0 379.0 10 29 24 5 [[92, 354]] 1.0 8gds AGC_ROCK2_HUMAN AGC 2.3e-93 318.0 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2

Ligand: Z8O

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 4 100.0% 8GDSC
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 ROCK2 ROCK2_HUMAN 8GDSA O75116 24 417 1388.0 Z8O:501 Type1 Inactive DFGout 14.304 9.3951 BBAminus -113.16, 143.54 -102.55, 117.32 -102.58, 29.06 302.77, 145.94 110.64, 5.22 out-out out 15.0791 Saltbr-out 13.9655 HRD-in -62.18, -48.44 83.82, -31.03 out-in-out SNCoio in-out ActLoopNT-in 2.8932 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooo APE10-dihe-na -67.31, -53.4 APE9-dihe-na 75.32, -130.78 APE8-dihe-in -73.21, 128.78 APE8-rot-in 285.89 APE67-dihe-in -37.36, -36.42 -96.83, -9.21 APE12-dist-none 999.0 APE11-dist-out 7.2565 APE10-dist-out 9.8509 APE9-dist-out 9.4071 None None None XRAY 2.71 0.218 0.248 A 396.0 384.0 6 29 27 2 [[92, 354]] 1.0 8gds Homo sapiens AGC_ROCK2_HUMAN AGC 2.3e-93 318.0 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2
AGC ROCK2 ROCK2_HUMAN 8GDSB O75116 24 417 1388.0 Z8O:501 Type1 Inactive DFGout 14.3904 9.5098 BBAminus -111.96, 142.39 -102.56, 118.41 -101.87, 25.6 301.02, 146.14 115.08, 0.13 out-none out 14.9022 Saltbr-none 999.0 HRD-in -65.01, -47.29 71.28, -3.57 none-in-out SNCnio in-out ActLoopNT-in 2.8585 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nooo APE10-dihe-na -134.25, 147.87 APE9-dihe-na -136.74, -95.28 APE8-dihe-in -67.87, 115.24 APE8-rot-in 324.97 APE67-dihe-in -41.62, -33.28 -83.99, -16.64 APE12-dist-none 999.0 APE11-dist-out 5.672 APE10-dist-out 9.8535 APE9-dist-out 8.9466 None None None XRAY 2.71 0.218 0.248 B 396.0 384.0 6 29 26 3 [[92, 354]] 1.0 8gds Homo sapiens AGC_ROCK2_HUMAN AGC 2.3e-93 318.0 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2
AGC ROCK2 ROCK2_HUMAN 8GDSC O75116 24 417 1388.0 Z8O:501 Type1 Inactive DFGout 14.4465 9.4014 BBAminus -113.01, 140.92 -102.45, 117.72 -102.11, 26.89 300.53, 146.18 115.19, 0.27 out-none out 14.9991 Saltbr-none 999.0 HRD-in -64.56, -46.59 70.99, -5.08 none-in-out SNCnio in-out ActLoopNT-in 2.8871 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -88.19 APE8-dihe-in -78.06, 129.88 APE8-rot-out 60.88 APE67-dihe-in -45.28, -34.19 -66.72, -39.76 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 6.4794 None None None XRAY 2.71 0.218 0.248 C 396.0 385.0 5 29 25 4 [[92, 354]] 1.0 8gds Homo sapiens AGC_ROCK2_HUMAN AGC 2.3e-93 318.0 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2
AGC ROCK2 ROCK2_HUMAN 8GDSD O75116 24 417 1388.0 Z8O:501 Type1.5_Front Inactive DFGout 14.5096 9.5483 BBAminus -103.86, 141.89 -103.51, 117.86 -102.63, 25.16 306.33, 142.76 108.24, 20.62 out-none out 14.9691 Saltbr-none 999.0 HRD-in -60.5, -48.74 68.07, -4.31 none-in-none SNCnin in-none ActLoopNT-in 2.9124 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnii APE10-dihe-na 999.0, 89.84 APE9-dihe-na 170.11, -172.34 APE8-dihe-in -98.69, 124.47 APE8-rot-in 291.85 APE67-dihe-in -51.67, -33.01 -41.58, -52.55 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-in 6.1219 APE9-dist-in 4.5167 None None None XRAY 2.71 0.218 0.248 D 396.0 379.0 10 29 24 5 [[92, 354]] 1.0 8gds Homo sapiens AGC_ROCK2_HUMAN AGC 2.3e-93 318.0 1.0 260.0 260.0 231 232 233 235 237 121 140 144 211 213 212 214.0 276 260 255 254 253 252 251 250 249 170 Rho-associated protein kinase 2

Ligand: Z8O

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