Ligand: VSH

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% 3VS6A
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 3VS6A P08631 81 526 526.0 VSH:60603 Type1.5_Back Inactive DFGin 5.5738 13.0065 BLBplus -118.63, 173.06 55.31, 21.4 -65.15, 123.93 39.6, 95.61 74.91, -1.15 out-out out 13.9136 Saltbr-out 14.5656 HRD-in -84.94, -50.54 80.12, -18.35 out-out-out SNCooo out-out ActLoopNT-out 7.1467 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -64.17 APE8-dihe-in -74.02, 58.62 APE8-rot-na 33.3 APE67-dihe-in -64.63, -21.22 -73.45, -22.59 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.9247 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.373 0.28 0.28 A 454.0 434.0 12 29 17 12 [[262, 513]] 1.0 3vs6 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 3VS6B P08631 81 526 526.0 VSH:60603 Type1.5_Back Inactive DFGin 5.7234 13.1865 BLBplus -116.1, 166.06 60.58, 23.3 -65.66, 128.54 39.99, 90.02 65.39, 33.14 out-out out 13.738 Saltbr-out 14.163 HRD-in -89.01, -50.06 78.41, -20.06 out-out-out SNCooo out-out ActLoopNT-out 7.5082 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -59.18 APE8-dihe-in -84.44, 55.22 APE8-rot-na 34.46 APE67-dihe-in -66.08, -19.87 -67.04, -14.66 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.8679 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.373 0.28 0.28 B 454.0 434.0 12 29 17 12 [[262, 513]] 1.0 3vs6 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: VSH

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% 3VS6A
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 3VS6A P08631 81 526 526.0 VSH:60603 Type1.5_Back Inactive DFGin 5.5738 13.0065 BLBplus -118.63, 173.06 55.31, 21.4 -65.15, 123.93 39.6, 95.61 74.91, -1.15 out-out out 13.9136 Saltbr-out 14.5656 HRD-in -84.94, -50.54 80.12, -18.35 out-out-out SNCooo out-out ActLoopNT-out 7.1467 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -64.17 APE8-dihe-in -74.02, 58.62 APE8-rot-na 33.3 APE67-dihe-in -64.63, -21.22 -73.45, -22.59 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.9247 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.373 0.28 0.28 A 454.0 434.0 12 29 17 12 [[262, 513]] 1.0 3vs6 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 3VS6B P08631 81 526 526.0 VSH:60603 Type1.5_Back Inactive DFGin 5.7234 13.1865 BLBplus -116.1, 166.06 60.58, 23.3 -65.66, 128.54 39.99, 90.02 65.39, 33.14 out-out out 13.738 Saltbr-out 14.163 HRD-in -89.01, -50.06 78.41, -20.06 out-out-out SNCooo out-out ActLoopNT-out 7.5082 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -59.18 APE8-dihe-in -84.44, 55.22 APE8-rot-na 34.46 APE67-dihe-in -66.08, -19.87 -67.04, -14.66 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.8679 Q523E,Q524E,Q525I PTR522 PTR522 XRAY 2.373 0.28 0.28 B 454.0 434.0 12 29 17 12 [[262, 513]] 1.0 3vs6 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: VSH

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