Ligand: 2K0

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 4P90A
None None 1 50.0% 4P90B
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 4P90A Q13153 250 542 545.0 2K0:601 Type1 Inactive DFGin 6.29 15.9045 BLAminus -137.22, -168.25 58.14, 82.52 -98.29, 19.11 283.65, 77.52 -65.85, -25.11 out-out out 11.0358 Saltbr-out 6.168 HRD-in -67.1, -50.9 70.07, 5.08 out-in-in SNCoii in-in ActLoopNT-in 2.8887 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -115.96, 137.67 APE9-dihe-na 138.08, -161.72 APE8-dihe-in -109.87, 122.79 APE8-rot-in 309.42 APE67-dihe-in -59.91, -28.85 -38.03, -53.97 APE12-dist-in 9.061 APE11-dist-in 11.7391 APE10-dist-in 5.8141 APE9-dist-in 3.4557 D389N,T423E,E503D None None XRAY 2.49 0.209 0.225 A 297.0 272.0 21 28 23 5 [[270, 521]] 1.0 4p90 STE_PAK1_HUMAN STE 6.8e-94 319.9 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 4P90B Q13153 257 542 545.0 2K0:601 Type1 Inactive None 999.0 999.0 None -138.91, 177.93 -142.14, 999.0 999.0, 999.0 999.0, 999.0 999.0, 999.0 out-out out 11.9698 Saltbr-out 7.1545 HRD-in -66.28, -51.37 77.47, -17.12 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_nnno APE10-dihe-na -113.36, 123.21 APE9-dihe-na 80.43, 135.31 APE8-dihe-in -89.72, 131.29 APE8-rot-out 140.92 APE67-dihe-out -58.76, -25.09 -85.09, 66.85 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.6636 D389N,T423E,E503D None None XRAY 2.49 0.209 0.225 B 297.0 262.0 24 28 17 11 [[270, 521]] 1.0 4p90 STE_PAK1_HUMAN STE 6.8e-94 319.9 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: 2K0

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 4P90A
None None 1 50.0% 4P90B
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 4P90A Q13153 250 542 545.0 2K0:601 Type1 Inactive DFGin 6.29 15.9045 BLAminus -137.22, -168.25 58.14, 82.52 -98.29, 19.11 283.65, 77.52 -65.85, -25.11 out-out out 11.0358 Saltbr-out 6.168 HRD-in -67.1, -50.9 70.07, 5.08 out-in-in SNCoii in-in ActLoopNT-in 2.8887 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -115.96, 137.67 APE9-dihe-na 138.08, -161.72 APE8-dihe-in -109.87, 122.79 APE8-rot-in 309.42 APE67-dihe-in -59.91, -28.85 -38.03, -53.97 APE12-dist-in 9.061 APE11-dist-in 11.7391 APE10-dist-in 5.8141 APE9-dist-in 3.4557 D389N,T423E,E503D None None XRAY 2.49 0.209 0.225 A 297.0 272.0 21 28 23 5 [[270, 521]] 1.0 4p90 Homo sapiens STE_PAK1_HUMAN STE 6.8e-94 319.9 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 4P90B Q13153 257 542 545.0 2K0:601 Type1 Inactive None 999.0 999.0 None -138.91, 177.93 -142.14, 999.0 999.0, 999.0 999.0, 999.0 999.0, 999.0 out-out out 11.9698 Saltbr-out 7.1545 HRD-in -66.28, -51.37 77.47, -17.12 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_nnno APE10-dihe-na -113.36, 123.21 APE9-dihe-na 80.43, 135.31 APE8-dihe-in -89.72, 131.29 APE8-rot-out 140.92 APE67-dihe-out -58.76, -25.09 -85.09, 66.85 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.6636 D389N,T423E,E503D None None XRAY 2.49 0.209 0.225 B 297.0 262.0 24 28 17 11 [[270, 521]] 1.0 4p90 Homo sapiens STE_PAK1_HUMAN STE 6.8e-94 319.9 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: 2K0

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