Ligand: 4T6

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 5BMSA
DFGin BLAplus 1 33.3% 4ZY6B
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 4ZY6A Q13153 251 542 545.0 4T6:601 Type1 Active DFGin 6.3697 15.5995 BLAminus -124.33, -176.81 68.32, 82.28 -102.18, 16.64 290.4, 85.25 -64.14, -39.63 in-in in 9.3354 Saltbr-in 3.4248 HRD-in -64.26, -49.18 70.16, -0.04 in-in-in SNCiii in-in ActLoopNT-in 2.8392 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -118.56, 145.89 APE9-dihe-na 126.15, -159.35 APE8-dihe-in -113.76, 123.67 APE8-rot-in 314.33 APE67-dihe-in -56.84, -27.56 -37.43, -56.54 APE12-dist-in 9.8938 APE11-dist-in 11.7589 APE10-dist-in 5.7602 APE9-dist-in 3.4077 D389N None None XRAY 2.15 0.19 0.239 A 301.0 284.0 8 28 28 0 [[270, 521]] 1.0 4zy6 STE_PAK1_HUMAN STE 1.7e-94 321.9 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 4ZY6B Q13153 255 542 545.0 4T6:601 Type1 Inactive DFGin 7.3296 14.857 BLAplus -137.95, -177.44 63.64, 58.44 -130.69, 45.59 56.15, 96.87 125.54, 96.41 out-out out 11.1288 Saltbr-out 8.3718 HRD-in -65.9, -55.98 79.77, -18.59 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -102.38, -43.6 APE9-dihe-na -101.32, 157.95 APE8-dihe-in -89.91, 118.25 APE8-rot-in 299.84 APE67-dihe-out -52.83, -26.99 -85.81, 57.42 APE12-dist-out 24.2559 APE11-dist-out 21.7524 APE10-dist-out 20.4802 APE9-dist-out 13.3385 D389N None None XRAY 2.15 0.19 0.239 B 301.0 280.0 8 28 20 8 [[270, 521]] 1.0 4zy6 STE_PAK1_HUMAN STE 1.7e-94 321.9 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 PAK4 PAK4_HUMAN 5BMSA O96013 300 589 591.0 4T6:60601 Type1 Active DFGin 5.882 13.7686 BLAminus -127.85, -156.82 35.49, 78.34 -98.96, 8.42 299.27, 100.83 -63.09, -11.52 in-in in 7.3117 Saltbr-in 3.0751 HRD-in -77.22, -46.32 67.96, 4.24 in-in-in SNCiii in-in ActLoopNT-in 2.8324 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.5, 139.88 APE9-dihe-na 129.41, -167.55 APE8-dihe-in -107.17, 120.88 APE8-rot-in 315.49 APE67-dihe-in -62.73, -29.26 -33.47, -61.67 APE12-dist-in 9.9965 APE11-dist-in 11.6175 APE10-dist-in 5.8909 APE9-dist-in 3.2223 None SEP474 SEP474 XRAY 2.903 0.176 0.23 A 293.0 290.0 0 28 28 0 [[321, 572]] 1.0 5bms STE_PAK4_HUMAN STE 1.8e-88 302.2 5.0 257.0 253.0 457 458 459 461 463 350 366 370 437 439 438 440.0 497 485 480 479 478 477 476 475 474 396 Serine/threonine-protein kinase PAK 4

Ligand: 4T6

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 5BMSA
DFGin BLAplus 1 33.3% 4ZY6B
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 4ZY6A Q13153 251 542 545.0 4T6:601 Type1 Active DFGin 6.3697 15.5995 BLAminus -124.33, -176.81 68.32, 82.28 -102.18, 16.64 290.4, 85.25 -64.14, -39.63 in-in in 9.3354 Saltbr-in 3.4248 HRD-in -64.26, -49.18 70.16, -0.04 in-in-in SNCiii in-in ActLoopNT-in 2.8392 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -118.56, 145.89 APE9-dihe-na 126.15, -159.35 APE8-dihe-in -113.76, 123.67 APE8-rot-in 314.33 APE67-dihe-in -56.84, -27.56 -37.43, -56.54 APE12-dist-in 9.8938 APE11-dist-in 11.7589 APE10-dist-in 5.7602 APE9-dist-in 3.4077 D389N None None XRAY 2.15 0.19 0.239 A 301.0 284.0 8 28 28 0 [[270, 521]] 1.0 4zy6 Homo sapiens STE_PAK1_HUMAN STE 1.7e-94 321.9 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 4ZY6B Q13153 255 542 545.0 4T6:601 Type1 Inactive DFGin 7.3296 14.857 BLAplus -137.95, -177.44 63.64, 58.44 -130.69, 45.59 56.15, 96.87 125.54, 96.41 out-out out 11.1288 Saltbr-out 8.3718 HRD-in -65.9, -55.98 79.77, -18.59 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -102.38, -43.6 APE9-dihe-na -101.32, 157.95 APE8-dihe-in -89.91, 118.25 APE8-rot-in 299.84 APE67-dihe-out -52.83, -26.99 -85.81, 57.42 APE12-dist-out 24.2559 APE11-dist-out 21.7524 APE10-dist-out 20.4802 APE9-dist-out 13.3385 D389N None None XRAY 2.15 0.19 0.239 B 301.0 280.0 8 28 20 8 [[270, 521]] 1.0 4zy6 Homo sapiens STE_PAK1_HUMAN STE 1.7e-94 321.9 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 PAK4 PAK4_HUMAN 5BMSA O96013 300 589 591.0 4T6:60601 Type1 Active DFGin 5.882 13.7686 BLAminus -127.85, -156.82 35.49, 78.34 -98.96, 8.42 299.27, 100.83 -63.09, -11.52 in-in in 7.3117 Saltbr-in 3.0751 HRD-in -77.22, -46.32 67.96, 4.24 in-in-in SNCiii in-in ActLoopNT-in 2.8324 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.5, 139.88 APE9-dihe-na 129.41, -167.55 APE8-dihe-in -107.17, 120.88 APE8-rot-in 315.49 APE67-dihe-in -62.73, -29.26 -33.47, -61.67 APE12-dist-in 9.9965 APE11-dist-in 11.6175 APE10-dist-in 5.8909 APE9-dist-in 3.2223 None SEP474 SEP474 XRAY 2.903 0.176 0.23 A 293.0 290.0 0 28 28 0 [[321, 572]] 1.0 5bms Homo sapiens STE_PAK4_HUMAN STE 1.8e-88 302.2 5.0 257.0 253.0 457 458 459 461 463 350 366 370 437 439 438 440.0 497 485 480 479 478 477 476 475 474 396 Serine/threonine-protein kinase PAK 4

Ligand: 4T6

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