Ligand: A1A2P

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% 9D4VA
DFGin BLBplus 1 33.3% 9D4VB
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 9D4VA Q13153 252 542 545.0 A1A2P:601 Type1 Active DFGin 6.1534 14.34 BLAminus -133.05, 174.34 74.69, 76.67 -92.01, 12.24 294.32, 76.99 -63.26, -20.72 in-in in 9.6699 Saltbr-in 3.2438 HRD-in -82.21, -55.38 81.7, -10.19 in-in-in SNCiii in-in ActLoopNT-in 2.8978 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.01, 142.34 APE9-dihe-na 145.86, -160.7 APE8-dihe-in -119.48, 122.28 APE8-rot-in 303.41 APE67-dihe-in -61.24, -20.34 -43.56, -51.48 APE12-dist-in 8.9367 APE11-dist-in 11.8399 APE10-dist-in 6.1319 APE9-dist-in 3.5782 D389N,T423E None None XRAY 1.84 0.202 0.269 A 297.0 291.0 0 28 28 0 [[270, 521]] 1.0 9d4v STE_PAK1_HUMAN STE 3.3e-94 321.0 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 9D4VB Q13153 252 543 545.0 A1A2P:601 Type1 Inactive DFGin 7.4283 14.3462 BLBplus -138.92, 178.14 67.78, 48.39 -114.3, 152.23 31.92, 119.42 -137.98, 999.0 out-none out 11.6431 Saltbr-none 999.0 HRD-in -63.94, -66.83 90.22, -22.57 none-none-out SNCnno none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_nnno APE10-dihe-na -98.71, -64.03 APE9-dihe-na -70.29, 164.76 APE8-dihe-in -84.86, 123.78 APE8-rot-in 293.73 APE67-dihe-out -70.71, -22.16 -84.4, 68.82 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 12.848 D389N,T423E None None XRAY 1.84 0.202 0.269 B 297.0 285.0 7 28 21 7 [[270, 521]] 1.0 9d4v STE_PAK1_HUMAN STE 3.3e-94 321.0 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 9D53A O96013 300 591 591.0 A1A2P:601 Type1 Active DFGin 7.4193 14.3883 BLAminus -130.46, -168.1 66.3, 64.12 -97.32, 16.28 284.99, 83.03 -56.88, -20.45 in-in in 8.4294 Saltbr-in 3.0387 HRD-in -68.67, -55.34 70.78, 15.37 in-in-in SNCiii in-in ActLoopNT-in 2.7007 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.76, 128.71 APE9-dihe-na 154.97, -168.87 APE8-dihe-in -101.14, 120.06 APE8-rot-in 318.43 APE67-dihe-in -66.45, -26.26 -33.54, -52.96 APE12-dist-in 9.8736 APE11-dist-in 11.6779 APE10-dist-in 5.8798 APE9-dist-in 3.4 None SEP474 SEP474 XRAY 2.468 0.19 0.263 A 293.0 292.0 0 28 28 0 [[321, 572]] 1.0 9d53 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: A1A2P

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% 9D4VA
DFGin BLBplus 1 33.3% 9D4VB
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 9D4VA Q13153 252 542 545.0 A1A2P:601 Type1 Active DFGin 6.1534 14.34 BLAminus -133.05, 174.34 74.69, 76.67 -92.01, 12.24 294.32, 76.99 -63.26, -20.72 in-in in 9.6699 Saltbr-in 3.2438 HRD-in -82.21, -55.38 81.7, -10.19 in-in-in SNCiii in-in ActLoopNT-in 2.8978 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.01, 142.34 APE9-dihe-na 145.86, -160.7 APE8-dihe-in -119.48, 122.28 APE8-rot-in 303.41 APE67-dihe-in -61.24, -20.34 -43.56, -51.48 APE12-dist-in 8.9367 APE11-dist-in 11.8399 APE10-dist-in 6.1319 APE9-dist-in 3.5782 D389N,T423E None None XRAY 1.84 0.202 0.269 A 297.0 291.0 0 28 28 0 [[270, 521]] 1.0 9d4v Homo sapiens STE_PAK1_HUMAN STE 3.3e-94 321.0 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 9D4VB Q13153 252 543 545.0 A1A2P:601 Type1 Inactive DFGin 7.4283 14.3462 BLBplus -138.92, 178.14 67.78, 48.39 -114.3, 152.23 31.92, 119.42 -137.98, 999.0 out-none out 11.6431 Saltbr-none 999.0 HRD-in -63.94, -66.83 90.22, -22.57 none-none-out SNCnno none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_nnno APE10-dihe-na -98.71, -64.03 APE9-dihe-na -70.29, 164.76 APE8-dihe-in -84.86, 123.78 APE8-rot-in 293.73 APE67-dihe-out -70.71, -22.16 -84.4, 68.82 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 12.848 D389N,T423E None None XRAY 1.84 0.202 0.269 B 297.0 285.0 7 28 21 7 [[270, 521]] 1.0 9d4v Homo sapiens STE_PAK1_HUMAN STE 3.3e-94 321.0 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 9D53A O96013 300 591 591.0 A1A2P:601 Type1 Active DFGin 7.4193 14.3883 BLAminus -130.46, -168.1 66.3, 64.12 -97.32, 16.28 284.99, 83.03 -56.88, -20.45 in-in in 8.4294 Saltbr-in 3.0387 HRD-in -68.67, -55.34 70.78, 15.37 in-in-in SNCiii in-in ActLoopNT-in 2.7007 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.76, 128.71 APE9-dihe-na 154.97, -168.87 APE8-dihe-in -101.14, 120.06 APE8-rot-in 318.43 APE67-dihe-in -66.45, -26.26 -33.54, -52.96 APE12-dist-in 9.8736 APE11-dist-in 11.6779 APE10-dist-in 5.8798 APE9-dist-in 3.4 None SEP474 SEP474 XRAY 2.468 0.19 0.263 A 293.0 292.0 0 28 28 0 [[321, 572]] 1.0 9d53 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: A1A2P

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