Ligand: 59N

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% 5DEWA
DFGin BLBplus 1 50.0% 5DEWB
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 5DEWA Q13153 250 544 545.0 59N:601 Type1 Inactive DFGin 6.8337 16.3316 BLAminus -126.7, -174.16 62.48, 84.65 -103.83, 29.96 288.1, 67.4 -74.85, -6.52 out-out out 10.6953 Saltbr-out 5.7106 HRD-in -69.51, -47.92 66.05, 2.25 out-in-in SNCoii in-in ActLoopNT-in 2.8441 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -124.92, 137.79 APE9-dihe-na 131.97, -163.67 APE8-dihe-in -114.9, 122.23 APE8-rot-in 306.26 APE67-dihe-in -61.48, -24.14 -42.65, -52.9 APE12-dist-in 10.3193 APE11-dist-in 11.758 APE10-dist-in 5.9976 APE9-dist-in 3.4891 D389N,T423E None None XRAY 1.9 0.177 0.215 A 297.0 295.0 0 28 28 0 [[270, 521]] 1.0 5dew 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 5DEWB Q13153 255 542 545.0 59N:601 Type1 Inactive DFGin 7.7509 15.3525 BLBplus -137.59, -178.21 69.87, 51.89 -141.46, -178.04 59.66, 102.54 -122.24, 139.25 out-out out 11.6959 Saltbr-out 9.5354 HRD-in -72.22, -49.95 78.3, -16.49 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -98.78, -66.17 APE9-dihe-na -88.1, 164.05 APE8-dihe-in -95.96, 119.25 APE8-rot-in 299.96 APE67-dihe-out -68.26, -19.44 -81.66, 64.36 APE12-dist-out 29.0275 APE11-dist-out 26.2288 APE10-dist-out 25.094 APE9-dist-out 13.0653 D389N,T423E None None XRAY 1.9 0.177 0.215 B 297.0 281.0 7 28 21 7 [[270, 521]] 1.0 5dew 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

Ligand: 59N

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% 5DEWA
DFGin BLBplus 1 50.0% 5DEWB
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 5DEWA Q13153 250 544 545.0 59N:601 Type1 Inactive DFGin 6.8337 16.3316 BLAminus -126.7, -174.16 62.48, 84.65 -103.83, 29.96 288.1, 67.4 -74.85, -6.52 out-out out 10.6953 Saltbr-out 5.7106 HRD-in -69.51, -47.92 66.05, 2.25 out-in-in SNCoii in-in ActLoopNT-in 2.8441 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -124.92, 137.79 APE9-dihe-na 131.97, -163.67 APE8-dihe-in -114.9, 122.23 APE8-rot-in 306.26 APE67-dihe-in -61.48, -24.14 -42.65, -52.9 APE12-dist-in 10.3193 APE11-dist-in 11.758 APE10-dist-in 5.9976 APE9-dist-in 3.4891 D389N,T423E None None XRAY 1.9 0.177 0.215 A 297.0 295.0 0 28 28 0 [[270, 521]] 1.0 5dew 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 5DEWB Q13153 255 542 545.0 59N:601 Type1 Inactive DFGin 7.7509 15.3525 BLBplus -137.59, -178.21 69.87, 51.89 -141.46, -178.04 59.66, 102.54 -122.24, 139.25 out-out out 11.6959 Saltbr-out 9.5354 HRD-in -72.22, -49.95 78.3, -16.49 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -98.78, -66.17 APE9-dihe-na -88.1, 164.05 APE8-dihe-in -95.96, 119.25 APE8-rot-in 299.96 APE67-dihe-out -68.26, -19.44 -81.66, 64.36 APE12-dist-out 29.0275 APE11-dist-out 26.2288 APE10-dist-out 25.094 APE9-dist-out 13.0653 D389N,T423E None None XRAY 1.9 0.177 0.215 B 297.0 281.0 7 28 21 7 [[270, 521]] 1.0 5dew 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

Ligand: 59N

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