Ligand: 3SM

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 2 100.0% 4WOVA
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 TYK2-1 TYK2_HUMAN 4WOVA P29597 580 869 1187.0 3SM:901 Type1 Pseudo DFGin 7.414 12.6121 None -81.79, 172.74 -64.96, 152.2 -79.14, 3.8 29.41, 144.45 64.39, -148.74 in-na in 9.4339 Saltbr-na 999.0 HRD-in -91.37, -57.71 81.66, 1.38 na-out-out SNCaoo out-out ActLoopNT-out 8.4716 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -61.89, -40.33 APE9-dihe-out -59.96, -25.88 APE8-dihe-out -82.28, -6.26 APE8-rot-na 203.31 APE67-dihe-out -93.77, 1.64 -65.5, 131.41 APE12-dist-na 9.8652 APE11-dist-na 12.1551 APE10-dist-na 16.3727 APE9-dist-out 11.6198 None None None XRAY 1.8 0.193 0.214 A 317.0 258.0 32 24 24 0 [[589, 868], [897, 1171]] 2.0 4wov TYR_TYK2-1_HUMAN TYR 5.4e-60 208.9 2.0 260.0 259.0 758 759 760 762 764 642 658 662 731 733 732 734.0 796 782 777 776 775 774 773 772 771 688 Non-receptor tyrosine-protein kinase TYK2
TYR TYK2-1 TYK2_HUMAN 4WOVB P29597 580 867 1187.0 3SM:901 Type1 Pseudo DFGin 7.3745 12.5637 None -82.96, 174.29 -64.97, 150.22 -78.54, 4.38 29.82, 144.02 64.16, -150.45 in-na in 9.3856 Saltbr-na 999.0 HRD-in -91.0, -57.11 81.71, 1.86 na-out-out SNCaoo out-out ActLoopNT-out 8.5397 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -61.69, -39.07 APE9-dihe-out -62.22, -22.21 APE8-dihe-out -86.45, -3.31 APE8-rot-na 190.55 APE67-dihe-out -96.7, 6.38 -71.04, 134.12 APE12-dist-na 9.8281 APE11-dist-na 12.1118 APE10-dist-na 16.3132 APE9-dist-out 11.6558 None None None XRAY 1.8 0.193 0.214 B 317.0 256.0 33 24 24 0 [[589, 868], [897, 1171]] 2.0 4wov TYR_TYK2-1_HUMAN TYR 5.4e-60 208.9 2.0 260.0 259.0 758 759 760 762 764 642 658 662 731 733 732 734.0 796 782 777 776 775 774 773 772 771 688 Non-receptor tyrosine-protein kinase TYK2

Ligand: 3SM

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 2 100.0% 4WOVA
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 TYK2-1 TYK2_HUMAN 4WOVA P29597 580 869 1187.0 3SM:901 Type1 Pseudo DFGin 7.414 12.6121 None -81.79, 172.74 -64.96, 152.2 -79.14, 3.8 29.41, 144.45 64.39, -148.74 in-na in 9.4339 Saltbr-na 999.0 HRD-in -91.37, -57.71 81.66, 1.38 na-out-out SNCaoo out-out ActLoopNT-out 8.4716 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -61.89, -40.33 APE9-dihe-out -59.96, -25.88 APE8-dihe-out -82.28, -6.26 APE8-rot-na 203.31 APE67-dihe-out -93.77, 1.64 -65.5, 131.41 APE12-dist-na 9.8652 APE11-dist-na 12.1551 APE10-dist-na 16.3727 APE9-dist-out 11.6198 None None None XRAY 1.8 0.193 0.214 A 317.0 258.0 32 24 24 0 [[589, 868], [897, 1171]] 2.0 4wov Homo sapiens TYR_TYK2-1_HUMAN TYR 5.4e-60 208.9 2.0 260.0 259.0 758 759 760 762 764 642 658 662 731 733 732 734.0 796 782 777 776 775 774 773 772 771 688 Non-receptor tyrosine-protein kinase TYK2
TYR TYK2-1 TYK2_HUMAN 4WOVB P29597 580 867 1187.0 3SM:901 Type1 Pseudo DFGin 7.3745 12.5637 None -82.96, 174.29 -64.97, 150.22 -78.54, 4.38 29.82, 144.02 64.16, -150.45 in-na in 9.3856 Saltbr-na 999.0 HRD-in -91.0, -57.11 81.71, 1.86 na-out-out SNCaoo out-out ActLoopNT-out 8.5397 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -61.69, -39.07 APE9-dihe-out -62.22, -22.21 APE8-dihe-out -86.45, -3.31 APE8-rot-na 190.55 APE67-dihe-out -96.7, 6.38 -71.04, 134.12 APE12-dist-na 9.8281 APE11-dist-na 12.1118 APE10-dist-na 16.3132 APE9-dist-out 11.6558 None None None XRAY 1.8 0.193 0.214 B 317.0 256.0 33 24 24 0 [[589, 868], [897, 1171]] 2.0 4wov Homo sapiens TYR_TYK2-1_HUMAN TYR 5.4e-60 208.9 2.0 260.0 259.0 758 759 760 762 764 642 658 662 731 733 732 734.0 796 782 777 776 775 774 773 772 771 688 Non-receptor tyrosine-protein kinase TYK2

Ligand: 3SM

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