Ligand: VSF

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 100.0% 3VS4A
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 3VS4A P08631 81 526 526.0 VSF:60603 Type1.5_Back Inactive DFGin 5.2959 12.6167 BLBplus -129.05, 156.5 78.18, 7.28 -55.31, 122.08 48.34, 94.72 91.65, -36.18 out-out out 13.5298 Saltbr-out 14.391 HRD-in -89.51, -57.9 84.08, -11.13 out-out-out SNCooo out-out ActLoopNT-out 6.8746 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 47.3 APE8-dihe-in -93.7, 67.91 APE8-rot-na 28.82 APE67-dihe-in -68.45, -16.47 -64.44, -22.55 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.6975 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.747 0.265 0.265 A 454.0 429.0 11 29 18 11 [[262, 513]] 1.0 3vs4 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 3VS4B P08631 81 526 526.0 VSF:60603 Type1.5_Back Inactive DFGin 5.2845 12.6652 BLBplus -120.89, 167.83 61.49, 15.86 -62.02, 121.53 47.24, 95.4 75.03, 10.7 out-out out 13.7661 Saltbr-out 15.0419 HRD-in -94.45, -46.27 74.87, -7.2 out-out-out SNCooo out-out ActLoopNT-out 7.1349 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 48.23 APE8-dihe-in -84.31, 74.96 APE8-rot-na 34.0 APE67-dihe-in -71.24, -2.76 -88.69, -13.52 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.5953 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.747 0.265 0.265 B 454.0 434.0 12 29 17 12 [[262, 513]] 1.0 3vs4 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: VSF

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBplus 2 100.0% 3VS4A
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 3VS4A P08631 81 526 526.0 VSF:60603 Type1.5_Back Inactive DFGin 5.2959 12.6167 BLBplus -129.05, 156.5 78.18, 7.28 -55.31, 122.08 48.34, 94.72 91.65, -36.18 out-out out 13.5298 Saltbr-out 14.391 HRD-in -89.51, -57.9 84.08, -11.13 out-out-out SNCooo out-out ActLoopNT-out 6.8746 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 47.3 APE8-dihe-in -93.7, 67.91 APE8-rot-na 28.82 APE67-dihe-in -68.45, -16.47 -64.44, -22.55 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.6975 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.747 0.265 0.265 A 454.0 429.0 11 29 18 11 [[262, 513]] 1.0 3vs4 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 3VS4B P08631 81 526 526.0 VSF:60603 Type1.5_Back Inactive DFGin 5.2845 12.6652 BLBplus -120.89, 167.83 61.49, 15.86 -62.02, 121.53 47.24, 95.4 75.03, 10.7 out-out out 13.7661 Saltbr-out 15.0419 HRD-in -94.45, -46.27 74.87, -7.2 out-out-out SNCooo out-out ActLoopNT-out 7.1349 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 48.23 APE8-dihe-in -84.31, 74.96 APE8-rot-na 34.0 APE67-dihe-in -71.24, -2.76 -88.69, -13.52 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.5953 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.747 0.265 0.265 B 454.0 434.0 12 29 17 12 [[262, 513]] 1.0 3vs4 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: VSF

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