Ligand: C7Y

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% 6B16A
DFGin BLBplus 1 50.0% 6B16B
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 6B16A Q13153 251 542 545.0 C7Y:601 Type1 Inactive DFGin 5.7632 15.7381 BLAminus -140.38, -170.39 68.19, 83.97 -104.23, 31.33 293.94, 85.27 -83.01, -6.82 out-out out 10.2168 Saltbr-out 4.8558 HRD-in -65.42, -51.52 72.03, -3.02 out-in-in SNCoii in-in ActLoopNT-in 2.8054 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -123.48, 156.35 APE9-dihe-na 120.93, -156.73 APE8-dihe-in -117.59, 125.73 APE8-rot-in 308.14 APE67-dihe-in -62.85, -22.73 -42.45, -53.26 APE12-dist-in 9.8454 APE11-dist-in 11.587 APE10-dist-in 5.6672 APE9-dist-in 3.2628 None None None XRAY 2.285 0.204 0.25 A 301.0 285.0 7 28 28 0 [[270, 521]] 1.0 6b16 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 6B16B Q13153 255 542 545.0 C7Y:601 Type1 Inactive DFGin 6.3597 14.4259 BLBplus -144.87, 179.58 61.29, 59.08 -133.66, 158.73 62.24, 96.44 -107.37, 999.0 out-out out 11.2619 Saltbr-out 9.7026 HRD-in -72.27, -48.35 73.49, -15.79 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_nnno APE10-dihe-na -105.66, 139.94 APE9-dihe-na 76.51, 136.41 APE8-dihe-in -86.78, 130.27 APE8-rot-in 290.48 APE67-dihe-out -61.56, -26.33 -86.33, 65.24 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.5388 None None None XRAY 2.285 0.204 0.25 B 301.0 281.0 7 28 21 7 [[270, 521]] 1.0 6b16 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: C7Y

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% 6B16A
DFGin BLBplus 1 50.0% 6B16B
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 6B16A Q13153 251 542 545.0 C7Y:601 Type1 Inactive DFGin 5.7632 15.7381 BLAminus -140.38, -170.39 68.19, 83.97 -104.23, 31.33 293.94, 85.27 -83.01, -6.82 out-out out 10.2168 Saltbr-out 4.8558 HRD-in -65.42, -51.52 72.03, -3.02 out-in-in SNCoii in-in ActLoopNT-in 2.8054 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -123.48, 156.35 APE9-dihe-na 120.93, -156.73 APE8-dihe-in -117.59, 125.73 APE8-rot-in 308.14 APE67-dihe-in -62.85, -22.73 -42.45, -53.26 APE12-dist-in 9.8454 APE11-dist-in 11.587 APE10-dist-in 5.6672 APE9-dist-in 3.2628 None None None XRAY 2.285 0.204 0.25 A 301.0 285.0 7 28 28 0 [[270, 521]] 1.0 6b16 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 6B16B Q13153 255 542 545.0 C7Y:601 Type1 Inactive DFGin 6.3597 14.4259 BLBplus -144.87, 179.58 61.29, 59.08 -133.66, 158.73 62.24, 96.44 -107.37, 999.0 out-out out 11.2619 Saltbr-out 9.7026 HRD-in -72.27, -48.35 73.49, -15.79 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_nnno APE10-dihe-na -105.66, 139.94 APE9-dihe-na 76.51, 136.41 APE8-dihe-in -86.78, 130.27 APE8-rot-in 290.48 APE67-dihe-out -61.56, -26.33 -86.33, 65.24 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.5388 None None None XRAY 2.285 0.204 0.25 B 301.0 281.0 7 28 21 7 [[270, 521]] 1.0 6b16 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: C7Y

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