Ligand: VSB

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 1 50.0% 3VS2A
DFGin None 1 50.0% 3VS2B
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
TYR HCK HCK_HUMAN 3VS2A P08631 81 526 526.0 VSB:60601 Type1 Inactive DFGin 5.5175 12.5421 BLBplus -126.13, 168.77 60.55, 22.01 -69.92, 133.32 46.99, 86.38 78.45, -37.41 out-out out 13.5267 Saltbr-out 15.5989 HRD-in -85.68, -45.22 76.56, -16.0 out-out-none SNCoon out-none ActLoopNT-out 6.9595 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, -7.36 APE8-rot-na 338.28 APE67-dihe-in -69.46, -15.36 -72.31, -17.24 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.609 0.279 0.279 A 454.0 430.0 13 29 16 13 [[262, 513]] 1.0 3vs2 TYR_HCK_HUMAN TYR 1.4e-95 325.6 1.0 260.0 260.0 398 399 400 402 404 290 305 309 378 380 379 381.0 439 427 422 421 420 419 418 417 416 334 Tyrosine-protein kinase HCK
TYR HCK HCK_HUMAN 3VS2B P08631 81 526 526.0 VSB:60601 Type1 Inactive DFGin 4.1152 13.5671 None -172.86, 118.27 -95.57, 158.0 70.94, 64.18 175.32, 32.25 108.45, -126.49 out-out out 14.0308 Saltbr-out 15.5528 HRD-in -134.11, -48.57 73.0, -14.11 out-out-none SNCoon out-none ActLoopNT-out 7.3664 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, 44.96 APE8-rot-na 32.11 APE67-dihe-in -73.24, -13.59 -122.47, 3.2 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.609 0.279 0.279 B 454.0 433.0 13 29 16 13 [[262, 513]] 1.0 3vs2 TYR_HCK_HUMAN TYR 1.4e-95 325.6 1.0 260.0 260.0 398 399 400 402 404 290 305 309 378 380 379 381.0 439 427 422 421 420 419 418 417 416 334 Tyrosine-protein kinase HCK

Ligand: VSB

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 1 50.0% 3VS2A
DFGin None 1 50.0% 3VS2B
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
TYR HCK HCK_HUMAN 3VS2A P08631 81 526 526.0 VSB:60601 Type1 Inactive DFGin 5.5175 12.5421 BLBplus -126.13, 168.77 60.55, 22.01 -69.92, 133.32 46.99, 86.38 78.45, -37.41 out-out out 13.5267 Saltbr-out 15.5989 HRD-in -85.68, -45.22 76.56, -16.0 out-out-none SNCoon out-none ActLoopNT-out 6.9595 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, -7.36 APE8-rot-na 338.28 APE67-dihe-in -69.46, -15.36 -72.31, -17.24 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.609 0.279 0.279 A 454.0 430.0 13 29 16 13 [[262, 513]] 1.0 3vs2 Homo sapiens TYR_HCK_HUMAN TYR 1.4e-95 325.6 1.0 260.0 260.0 398 399 400 402 404 290 305 309 378 380 379 381.0 439 427 422 421 420 419 418 417 416 334 Tyrosine-protein kinase HCK
TYR HCK HCK_HUMAN 3VS2B P08631 81 526 526.0 VSB:60601 Type1 Inactive DFGin 4.1152 13.5671 None -172.86, 118.27 -95.57, 158.0 70.94, 64.18 175.32, 32.25 108.45, -126.49 out-out out 14.0308 Saltbr-out 15.5528 HRD-in -134.11, -48.57 73.0, -14.11 out-out-none SNCoon out-none ActLoopNT-out 7.3664 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, 44.96 APE8-rot-na 32.11 APE67-dihe-in -73.24, -13.59 -122.47, 3.2 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.609 0.279 0.279 B 454.0 433.0 13 29 16 13 [[262, 513]] 1.0 3vs2 Homo sapiens TYR_HCK_HUMAN TYR 1.4e-95 325.6 1.0 260.0 260.0 398 399 400 402 404 290 305 309 378 380 379 381.0 439 427 422 421 420 419 418 417 416 334 Tyrosine-protein kinase HCK

Ligand: VSB

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