Ligand: 4T5

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% 4ZY5A
DFGin BLBplus 1 50.0% 4ZY5B
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 4ZY5A Q13153 251 542 545.0 4T5:601 Type1 Active DFGin 6.0368 14.8956 BLAminus -140.18, -173.08 62.57, 82.16 -105.04, 12.63 288.26, 87.61 -64.64, -16.81 in-in in 9.3868 Saltbr-in 3.1482 HRD-in -71.51, -47.64 70.51, 2.03 in-in-in SNCiii in-in ActLoopNT-in 2.8838 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -117.85, 152.88 APE9-dihe-na 123.41, -158.15 APE8-dihe-in -123.57, 124.85 APE8-rot-in 306.44 APE67-dihe-in -58.91, -22.59 -43.54, -56.9 APE12-dist-in 10.0249 APE11-dist-in 11.8023 APE10-dist-in 5.8551 APE9-dist-in 3.4127 None None None XRAY 2.35 0.197 0.23 A 301.0 283.0 9 28 28 0 [[270, 521]] 1.0 4zy5 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 4ZY5B Q13153 255 542 545.0 4T5:601 Type1 Inactive DFGin 7.6795 15.0252 BLBplus -144.24, -172.24 51.42, 58.7 -146.64, 154.06 70.17, 94.16 -108.49, 142.04 out-out out 10.8855 Saltbr-out 11.5357 HRD-in -63.47, -50.88 76.11, -13.15 out-out-out SNCooo out-out ActLoopNT-out 7.8509 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -108.68, 131.57 APE9-dihe-na 77.65, 153.4 APE8-dihe-in -96.17, 124.9 APE8-rot-in 292.58 APE67-dihe-out -64.89, -20.19 -81.42, 68.34 APE12-dist-out 29.0146 APE11-dist-out 25.4808 APE10-dist-out 25.8671 APE9-dist-out 13.7708 None None None XRAY 2.35 0.197 0.23 B 301.0 287.0 1 28 28 0 [[270, 521]] 1.0 4zy5 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: 4T5

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% 4ZY5A
DFGin BLBplus 1 50.0% 4ZY5B
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 4ZY5A Q13153 251 542 545.0 4T5:601 Type1 Active DFGin 6.0368 14.8956 BLAminus -140.18, -173.08 62.57, 82.16 -105.04, 12.63 288.26, 87.61 -64.64, -16.81 in-in in 9.3868 Saltbr-in 3.1482 HRD-in -71.51, -47.64 70.51, 2.03 in-in-in SNCiii in-in ActLoopNT-in 2.8838 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -117.85, 152.88 APE9-dihe-na 123.41, -158.15 APE8-dihe-in -123.57, 124.85 APE8-rot-in 306.44 APE67-dihe-in -58.91, -22.59 -43.54, -56.9 APE12-dist-in 10.0249 APE11-dist-in 11.8023 APE10-dist-in 5.8551 APE9-dist-in 3.4127 None None None XRAY 2.35 0.197 0.23 A 301.0 283.0 9 28 28 0 [[270, 521]] 1.0 4zy5 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 4ZY5B Q13153 255 542 545.0 4T5:601 Type1 Inactive DFGin 7.6795 15.0252 BLBplus -144.24, -172.24 51.42, 58.7 -146.64, 154.06 70.17, 94.16 -108.49, 142.04 out-out out 10.8855 Saltbr-out 11.5357 HRD-in -63.47, -50.88 76.11, -13.15 out-out-out SNCooo out-out ActLoopNT-out 7.8509 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -108.68, 131.57 APE9-dihe-na 77.65, 153.4 APE8-dihe-in -96.17, 124.9 APE8-rot-in 292.58 APE67-dihe-out -64.89, -20.19 -81.42, 68.34 APE12-dist-out 29.0146 APE11-dist-out 25.4808 APE10-dist-out 25.8671 APE9-dist-out 13.7708 None None None XRAY 2.35 0.197 0.23 B 301.0 287.0 1 28 28 0 [[270, 521]] 1.0 4zy5 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: 4T5

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