Ligand: 3SG

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% 4WOTB
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 4WOTA O75116 22 417 1388.0 3SG:501 Type1 Inactive DFGin 6.1945 13.074 ABAminus -135.17, -10.51 -134.2, 128.83 -131.16, 28.81 310.32, 108.74 -62.4, -34.78 in-in in 8.967 Saltbr-in 2.447 HRD-in -67.9, -48.5 51.03, 22.17 in-in-out SNCiio in-out ActLoopNT-in 2.9899 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, 151.53 APE9-dihe-na 148.47, -177.25 APE8-dihe-in -79.02, 124.53 APE8-rot-out 69.87 APE67-dihe-in -33.84, -49.13 -87.01, 2.67 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 8.5577 APE9-dist-out 7.9832 None None None XRAY 2.93 0.223 0.268 A 396.0 389.0 3 29 26 3 [[92, 354]] 1.0 4wot 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 4WOTB O75116 22 417 1388.0 3SG:501 Type1 Inactive DFGin 6.2061 13.412 ABAminus -121.15, -29.83 -129.18, 101.54 -100.78, 25.44 307.28, 101.28 -60.27, -29.91 in-in in 9.2394 Saltbr-in 2.5551 HRD-in -73.23, -53.38 48.65, 30.57 in-in-in SNCiii in-in ActLoopNT-in 3.0139 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -144.19, 136.46 APE9-dihe-na 130.7, 169.23 APE8-dihe-in -78.33, 140.31 APE8-rot-in 315.87 APE67-dihe-in -66.72, -32.79 -54.96, -39.47 APE12-dist-in 10.2698 APE11-dist-in 11.1208 APE10-dist-in 5.4011 APE9-dist-in 3.961 None None None XRAY 2.93 0.223 0.268 B 396.0 394.0 0 29 29 0 [[92, 354]] 1.0 4wot 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 4WOTC O75116 22 417 1388.0 3SG:501 Type1 Inactive DFGin 6.3975 13.1365 ABAminus -155.48, 37.05 -162.57, 126.3 -126.94, 37.81 307.24, 97.39 -72.68, -39.98 in-in in 8.8532 Saltbr-in 2.7026 HRD-in -72.02, -52.38 47.81, 35.39 in-in-in SNCiii in-in ActLoopNT-in 3.0572 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.22, 153.14 APE9-dihe-na 111.79, 170.52 APE8-dihe-in -74.42, 135.59 APE8-rot-in 311.52 APE67-dihe-in -64.13, -31.94 -46.85, -44.87 APE12-dist-in 10.3652 APE11-dist-in 11.1725 APE10-dist-in 5.5084 APE9-dist-in 4.1825 None None None XRAY 2.93 0.223 0.268 C 396.0 392.0 0 29 29 0 [[92, 354]] 1.0 4wot 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 4WOTD O75116 23 417 1388.0 3SG:501 Type1 Inactive DFGin 6.2523 13.2573 ABAminus -118.96, -34.54 -121.89, 101.62 -103.9, 33.36 309.85, 95.26 -70.03, -28.11 in-in in 9.0867 Saltbr-in 2.4432 HRD-in -70.37, -47.18 69.99, 3.47 in-in-out SNCiio in-out ActLoopNT-in 2.9303 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nooo APE10-dihe-na -161.47, 159.03 APE9-dihe-na 169.18, 177.89 APE8-dihe-in -96.13, 131.57 APE8-rot-out 64.42 APE67-dihe-in -46.94, -47.22 -87.02, 3.22 APE12-dist-none 999.0 APE11-dist-out 7.5647 APE10-dist-out 8.7203 APE9-dist-out 7.9469 None None None XRAY 2.93 0.223 0.268 D 396.0 389.0 2 29 27 2 [[92, 354]] 1.0 4wot 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: 3SG

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% 4WOTB
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 4WOTA O75116 22 417 1388.0 3SG:501 Type1 Inactive DFGin 6.1945 13.074 ABAminus -135.17, -10.51 -134.2, 128.83 -131.16, 28.81 310.32, 108.74 -62.4, -34.78 in-in in 8.967 Saltbr-in 2.447 HRD-in -67.9, -48.5 51.03, 22.17 in-in-out SNCiio in-out ActLoopNT-in 2.9899 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, 151.53 APE9-dihe-na 148.47, -177.25 APE8-dihe-in -79.02, 124.53 APE8-rot-out 69.87 APE67-dihe-in -33.84, -49.13 -87.01, 2.67 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 8.5577 APE9-dist-out 7.9832 None None None XRAY 2.93 0.223 0.268 A 396.0 389.0 3 29 26 3 [[92, 354]] 1.0 4wot 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 4WOTB O75116 22 417 1388.0 3SG:501 Type1 Inactive DFGin 6.2061 13.412 ABAminus -121.15, -29.83 -129.18, 101.54 -100.78, 25.44 307.28, 101.28 -60.27, -29.91 in-in in 9.2394 Saltbr-in 2.5551 HRD-in -73.23, -53.38 48.65, 30.57 in-in-in SNCiii in-in ActLoopNT-in 3.0139 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -144.19, 136.46 APE9-dihe-na 130.7, 169.23 APE8-dihe-in -78.33, 140.31 APE8-rot-in 315.87 APE67-dihe-in -66.72, -32.79 -54.96, -39.47 APE12-dist-in 10.2698 APE11-dist-in 11.1208 APE10-dist-in 5.4011 APE9-dist-in 3.961 None None None XRAY 2.93 0.223 0.268 B 396.0 394.0 0 29 29 0 [[92, 354]] 1.0 4wot 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 4WOTC O75116 22 417 1388.0 3SG:501 Type1 Inactive DFGin 6.3975 13.1365 ABAminus -155.48, 37.05 -162.57, 126.3 -126.94, 37.81 307.24, 97.39 -72.68, -39.98 in-in in 8.8532 Saltbr-in 2.7026 HRD-in -72.02, -52.38 47.81, 35.39 in-in-in SNCiii in-in ActLoopNT-in 3.0572 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.22, 153.14 APE9-dihe-na 111.79, 170.52 APE8-dihe-in -74.42, 135.59 APE8-rot-in 311.52 APE67-dihe-in -64.13, -31.94 -46.85, -44.87 APE12-dist-in 10.3652 APE11-dist-in 11.1725 APE10-dist-in 5.5084 APE9-dist-in 4.1825 None None None XRAY 2.93 0.223 0.268 C 396.0 392.0 0 29 29 0 [[92, 354]] 1.0 4wot 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 4WOTD O75116 23 417 1388.0 3SG:501 Type1 Inactive DFGin 6.2523 13.2573 ABAminus -118.96, -34.54 -121.89, 101.62 -103.9, 33.36 309.85, 95.26 -70.03, -28.11 in-in in 9.0867 Saltbr-in 2.4432 HRD-in -70.37, -47.18 69.99, 3.47 in-in-out SNCiio in-out ActLoopNT-in 2.9303 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nooo APE10-dihe-na -161.47, 159.03 APE9-dihe-na 169.18, 177.89 APE8-dihe-in -96.13, 131.57 APE8-rot-out 64.42 APE67-dihe-in -46.94, -47.22 -87.02, 3.22 APE12-dist-none 999.0 APE11-dist-out 7.5647 APE10-dist-out 8.7203 APE9-dist-out 7.9469 None None None XRAY 2.93 0.223 0.268 D 396.0 389.0 2 29 27 2 [[92, 354]] 1.0 4wot 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: 3SG

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