Ligand: 4OQ

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% 4ZJID
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
STE PAK1 PAK1_HUMAN 4ZJIA Q13153 254 542 545.0 4OQ:601 Type3 Inactive DFGout 14.4855 7.8622 BBAminus -124.98, 172.53 -139.37, 60.86 -76.04, -0.31 290.5, 165.49 -101.27, 2.8 out-out out 11.4559 Saltbr-out 9.179 HRD-in -74.01, -52.86 71.92, 1.18 out-out-out SNCooo out-out ActLoopNT-out 4.454 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioi APE10-dihe-na -121.27, 143.67 APE9-dihe-na 128.32, -164.34 APE8-dihe-in -119.07, 120.68 APE8-rot-in 308.34 APE67-dihe-in -57.07, -27.71 -45.34, -50.35 APE12-dist-in 12.5532 APE11-dist-in 13.8764 APE10-dist-out 8.621 APE9-dist-in 3.4702 None None None XRAY 1.99 0.192 0.22 A 299.0 278.0 11 28 22 6 [[270, 521]] 1.0 4zji STE_PAK1_HUMAN STE 2.1e-95 324.9 1.0 257.0 257.0 406 407 408 410 412 299 315 319 386 388 387 389.0 446 434 429 428 427 426 425 424 423 345 Serine/threonine-protein kinase PAK 1
STE PAK1 PAK1_HUMAN 4ZJIB Q13153 254 540 545.0 4OQ:601 Type3 Inactive DFGout 14.347 7.9109 BBAminus -122.99, 169.12 -135.22, 63.32 -78.42, -1.05 289.36, 166.77 -102.4, 3.7 out-out out 11.3549 Saltbr-out 9.4996 HRD-in -73.68, -52.57 71.67, 0.82 out-out-out SNCooo out-out ActLoopNT-out 4.4631 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioi APE10-dihe-na -121.49, 143.59 APE9-dihe-na 127.1, -165.24 APE8-dihe-in -117.4, 119.62 APE8-rot-in 306.54 APE67-dihe-in -58.04, -25.35 -40.93, -53.52 APE12-dist-in 12.4642 APE11-dist-in 13.8562 APE10-dist-out 8.6324 APE9-dist-in 3.4585 None None None XRAY 1.99 0.192 0.22 B 299.0 276.0 11 28 22 6 [[270, 521]] 1.0 4zji STE_PAK1_HUMAN STE 2.1e-95 324.9 1.0 257.0 257.0 406 407 408 410 412 299 315 319 386 388 387 389.0 446 434 429 428 427 426 425 424 423 345 Serine/threonine-protein kinase PAK 1
STE PAK1 PAK1_HUMAN 4ZJIC Q13153 250 541 545.0 4OQ:601 Type3 Inactive DFGout 14.2151 7.8108 BBAminus -121.31, 171.98 -130.54, 60.34 -81.43, -2.47 290.92, 169.61 -101.24, 4.12 out-out out 11.3323 Saltbr-out 7.131 HRD-in -69.29, -53.03 70.55, 2.57 out-out-out SNCooo out-out ActLoopNT-out 4.6972 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -122.35, 146.99 APE9-dihe-na -60.27, 135.04 APE8-dihe-in -113.96, 115.83 APE8-rot-in 300.08 APE67-dihe-in -103.44, 21.24 -64.25, -21.29 APE12-dist-out 15.8863 APE11-dist-out 15.1667 APE10-dist-out 10.1066 APE9-dist-out 8.6159 None None None XRAY 1.99 0.192 0.22 C 299.0 281.0 11 28 23 5 [[270, 521]] 1.0 4zji STE_PAK1_HUMAN STE 2.1e-95 324.9 1.0 257.0 257.0 406 407 408 410 412 299 315 319 386 388 387 389.0 446 434 429 428 427 426 425 424 423 345 Serine/threonine-protein kinase PAK 1
STE PAK1 PAK1_HUMAN 4ZJID Q13153 253 541 545.0 4OQ:601 Type3 Inactive DFGout 14.1586 7.8545 BBAminus -123.8, 172.68 -134.23, 62.09 -78.43, -2.16 289.23, 167.94 -100.19, 2.82 out-out out 11.2397 Saltbr-out 7.1208 HRD-in -70.67, -52.48 69.45, 4.83 out-in-out SNCoio in-out ActLoopNT-in 3.1182 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -117.08, 151.63 APE9-dihe-na -63.3, 137.02 APE8-dihe-in -115.16, 115.5 APE8-rot-in 303.37 APE67-dihe-in -103.69, 23.11 -64.43, -20.74 APE12-dist-out 15.883 APE11-dist-out 15.5305 APE10-dist-out 10.1428 APE9-dist-out 8.5044 None None None XRAY 1.99 0.192 0.22 D 299.0 280.0 9 28 24 4 [[270, 521]] 1.0 4zji STE_PAK1_HUMAN STE 2.1e-95 324.9 1.0 257.0 257.0 406 407 408 410 412 299 315 319 386 388 387 389.0 446 434 429 428 427 426 425 424 423 345 Serine/threonine-protein kinase PAK 1

Ligand: 4OQ

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% 4ZJID
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
STE PAK1 PAK1_HUMAN 4ZJIA Q13153 254 542 545.0 4OQ:601 Type3 Inactive DFGout 14.4855 7.8622 BBAminus -124.98, 172.53 -139.37, 60.86 -76.04, -0.31 290.5, 165.49 -101.27, 2.8 out-out out 11.4559 Saltbr-out 9.179 HRD-in -74.01, -52.86 71.92, 1.18 out-out-out SNCooo out-out ActLoopNT-out 4.454 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioi APE10-dihe-na -121.27, 143.67 APE9-dihe-na 128.32, -164.34 APE8-dihe-in -119.07, 120.68 APE8-rot-in 308.34 APE67-dihe-in -57.07, -27.71 -45.34, -50.35 APE12-dist-in 12.5532 APE11-dist-in 13.8764 APE10-dist-out 8.621 APE9-dist-in 3.4702 None None None XRAY 1.99 0.192 0.22 A 299.0 278.0 11 28 22 6 [[270, 521]] 1.0 4zji Homo sapiens STE_PAK1_HUMAN STE 2.1e-95 324.9 1.0 257.0 257.0 406 407 408 410 412 299 315 319 386 388 387 389.0 446 434 429 428 427 426 425 424 423 345 Serine/threonine-protein kinase PAK 1
STE PAK1 PAK1_HUMAN 4ZJIB Q13153 254 540 545.0 4OQ:601 Type3 Inactive DFGout 14.347 7.9109 BBAminus -122.99, 169.12 -135.22, 63.32 -78.42, -1.05 289.36, 166.77 -102.4, 3.7 out-out out 11.3549 Saltbr-out 9.4996 HRD-in -73.68, -52.57 71.67, 0.82 out-out-out SNCooo out-out ActLoopNT-out 4.4631 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioi APE10-dihe-na -121.49, 143.59 APE9-dihe-na 127.1, -165.24 APE8-dihe-in -117.4, 119.62 APE8-rot-in 306.54 APE67-dihe-in -58.04, -25.35 -40.93, -53.52 APE12-dist-in 12.4642 APE11-dist-in 13.8562 APE10-dist-out 8.6324 APE9-dist-in 3.4585 None None None XRAY 1.99 0.192 0.22 B 299.0 276.0 11 28 22 6 [[270, 521]] 1.0 4zji Homo sapiens STE_PAK1_HUMAN STE 2.1e-95 324.9 1.0 257.0 257.0 406 407 408 410 412 299 315 319 386 388 387 389.0 446 434 429 428 427 426 425 424 423 345 Serine/threonine-protein kinase PAK 1
STE PAK1 PAK1_HUMAN 4ZJIC Q13153 250 541 545.0 4OQ:601 Type3 Inactive DFGout 14.2151 7.8108 BBAminus -121.31, 171.98 -130.54, 60.34 -81.43, -2.47 290.92, 169.61 -101.24, 4.12 out-out out 11.3323 Saltbr-out 7.131 HRD-in -69.29, -53.03 70.55, 2.57 out-out-out SNCooo out-out ActLoopNT-out 4.6972 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -122.35, 146.99 APE9-dihe-na -60.27, 135.04 APE8-dihe-in -113.96, 115.83 APE8-rot-in 300.08 APE67-dihe-in -103.44, 21.24 -64.25, -21.29 APE12-dist-out 15.8863 APE11-dist-out 15.1667 APE10-dist-out 10.1066 APE9-dist-out 8.6159 None None None XRAY 1.99 0.192 0.22 C 299.0 281.0 11 28 23 5 [[270, 521]] 1.0 4zji Homo sapiens STE_PAK1_HUMAN STE 2.1e-95 324.9 1.0 257.0 257.0 406 407 408 410 412 299 315 319 386 388 387 389.0 446 434 429 428 427 426 425 424 423 345 Serine/threonine-protein kinase PAK 1
STE PAK1 PAK1_HUMAN 4ZJID Q13153 253 541 545.0 4OQ:601 Type3 Inactive DFGout 14.1586 7.8545 BBAminus -123.8, 172.68 -134.23, 62.09 -78.43, -2.16 289.23, 167.94 -100.19, 2.82 out-out out 11.2397 Saltbr-out 7.1208 HRD-in -70.67, -52.48 69.45, 4.83 out-in-out SNCoio in-out ActLoopNT-in 3.1182 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oooo APE10-dihe-na -117.08, 151.63 APE9-dihe-na -63.3, 137.02 APE8-dihe-in -115.16, 115.5 APE8-rot-in 303.37 APE67-dihe-in -103.69, 23.11 -64.43, -20.74 APE12-dist-out 15.883 APE11-dist-out 15.5305 APE10-dist-out 10.1428 APE9-dist-out 8.5044 None None None XRAY 1.99 0.192 0.22 D 299.0 280.0 9 28 24 4 [[270, 521]] 1.0 4zji Homo sapiens STE_PAK1_HUMAN STE 2.1e-95 324.9 1.0 257.0 257.0 406 407 408 410 412 299 315 319 386 388 387 389.0 446 434 429 428 427 426 425 424 423 345 Serine/threonine-protein kinase PAK 1

Ligand: 4OQ

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