Ligand: 4T3

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 4ZY4A
DFGin BLBplus 1 50.0% 4ZY4B
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 4ZY4A Q13153 249 541 545.0 4T3:601 Type1 Active DFGin 6.0731 14.8963 BLAminus -139.58, -171.69 61.35, 95.1 -118.75, 13.67 288.65, 81.3 -63.24, -19.67 in-in in 9.5356 Saltbr-in 3.2333 HRD-in -70.66, -50.13 73.4, 3.9 in-in-in SNCiii in-in ActLoopNT-in 2.7701 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -119.68, 147.53 APE9-dihe-na 128.49, -161.7 APE8-dihe-in -117.82, 126.25 APE8-rot-in 306.74 APE67-dihe-in -57.35, -19.6 -38.75, -60.51 APE12-dist-in 9.7462 APE11-dist-in 11.7236 APE10-dist-in 5.7902 APE9-dist-in 3.2487 D389N None None XRAY 2.6 0.195 0.248 A 301.0 288.0 5 28 28 0 [[270, 521]] 1.0 4zy4 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 4ZY4B Q13153 249 541 545.0 4T3:601 Type1 Inactive DFGin 7.5986 14.8504 BLBplus -139.34, -177.65 54.73, 56.59 -140.48, 155.14 67.56, 96.25 -101.6, 132.29 out-out out 10.5232 Saltbr-out 8.8391 HRD-in -59.52, -44.55 68.83, -12.31 out-out-out SNCooo out-out ActLoopNT-out 7.9368 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -103.03, 141.04 APE9-dihe-na 76.93, 135.09 APE8-dihe-in -80.52, 126.83 APE8-rot-in 292.98 APE67-dihe-out -60.29, -25.73 -84.22, 60.72 APE12-dist-out 28.9038 APE11-dist-out 25.6004 APE10-dist-out 26.0652 APE9-dist-out 13.6572 D389N None None XRAY 2.6 0.195 0.248 B 301.0 292.0 1 28 28 0 [[270, 521]] 1.0 4zy4 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

Ligand: 4T3

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 4ZY4A
DFGin BLBplus 1 50.0% 4ZY4B
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 4ZY4A Q13153 249 541 545.0 4T3:601 Type1 Active DFGin 6.0731 14.8963 BLAminus -139.58, -171.69 61.35, 95.1 -118.75, 13.67 288.65, 81.3 -63.24, -19.67 in-in in 9.5356 Saltbr-in 3.2333 HRD-in -70.66, -50.13 73.4, 3.9 in-in-in SNCiii in-in ActLoopNT-in 2.7701 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -119.68, 147.53 APE9-dihe-na 128.49, -161.7 APE8-dihe-in -117.82, 126.25 APE8-rot-in 306.74 APE67-dihe-in -57.35, -19.6 -38.75, -60.51 APE12-dist-in 9.7462 APE11-dist-in 11.7236 APE10-dist-in 5.7902 APE9-dist-in 3.2487 D389N None None XRAY 2.6 0.195 0.248 A 301.0 288.0 5 28 28 0 [[270, 521]] 1.0 4zy4 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 4ZY4B Q13153 249 541 545.0 4T3:601 Type1 Inactive DFGin 7.5986 14.8504 BLBplus -139.34, -177.65 54.73, 56.59 -140.48, 155.14 67.56, 96.25 -101.6, 132.29 out-out out 10.5232 Saltbr-out 8.8391 HRD-in -59.52, -44.55 68.83, -12.31 out-out-out SNCooo out-out ActLoopNT-out 7.9368 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -103.03, 141.04 APE9-dihe-na 76.93, 135.09 APE8-dihe-in -80.52, 126.83 APE8-rot-in 292.98 APE67-dihe-out -60.29, -25.73 -84.22, 60.72 APE12-dist-out 28.9038 APE11-dist-out 25.6004 APE10-dist-out 26.0652 APE9-dist-out 13.6572 D389N None None XRAY 2.6 0.195 0.248 B 301.0 292.0 1 28 28 0 [[270, 521]] 1.0 4zy4 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

Ligand: 4T3

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