Ligand: ZS3

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 3 100.0% 8S99B
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 8S99A P29597 578 868 1187.0 ZS3:901 Type1 Pseudo DFGin 7.3994 12.7822 None -62.82, 155.3 -51.38, 147.9 -74.24, -0.55 28.63, 142.53 65.17, -151.12 in-na in 9.6586 Saltbr-na 999.0 HRD-in -82.17, -60.98 83.64, 7.23 na-out-out SNCaoo out-out ActLoopNT-out 8.3299 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -62.74, -38.21 APE9-dihe-out -59.13, -29.8 APE8-dihe-out -88.76, 1.4 APE8-rot-na 298.32 APE67-dihe-out -97.29, 12.8 -68.06, 135.28 APE12-dist-na 9.9277 APE11-dist-na 12.29 APE10-dist-na 16.5863 APE9-dist-out 11.7615 None None None XRAY 1.71 0.191 0.225 A 295.0 261.0 30 24 24 0 [[589, 868], [897, 1171]] 2.0 8s99 TYR_TYK2-1_HUMAN TYR 4.1e-60 209.3 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 8S99B P29597 579 867 1187.0 ZS3:901 Type1 Pseudo DFGin 7.4426 12.6145 None -56.5, 153.96 -51.89, 147.7 -74.35, -1.31 29.46, 140.64 65.58, -151.37 in-na in 9.5567 Saltbr-na 999.0 HRD-in -80.48, -58.61 84.39, 4.19 na-out-out SNCaoo out-out ActLoopNT-out 8.4257 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -63.04, -40.63 APE9-dihe-out -58.98, -25.02 APE8-dihe-out -89.21, 1.32 APE8-rot-na 294.34 APE67-dihe-out -101.31, 17.67 -66.15, 136.61 APE12-dist-na 9.9093 APE11-dist-na 12.1858 APE10-dist-na 16.4711 APE9-dist-out 11.849 None None None XRAY 1.71 0.191 0.225 B 295.0 261.0 29 24 24 0 [[589, 868], [897, 1171]] 2.0 8s99 TYR_TYK2-1_HUMAN TYR 4.1e-60 209.3 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 8S99C P29597 578 867 1187.0 ZS3:901 Type1 Pseudo DFGin 7.4621 12.589 None -61.71, 157.01 -52.78, 147.81 -73.85, -0.24 30.37, 137.25 70.68, -153.5 in-na in 9.5877 Saltbr-na 999.0 HRD-in -82.08, -63.18 88.21, 6.86 na-out-out SNCaoo out-out ActLoopNT-out 8.1733 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -63.66, -43.16 APE9-dihe-out -54.27, -29.75 APE8-dihe-out -91.84, 3.24 APE8-rot-na 295.26 APE67-dihe-out -102.57, 13.29 -66.4, 134.15 APE12-dist-na 9.7375 APE11-dist-na 12.4322 APE10-dist-na 16.5442 APE9-dist-out 11.6845 None None None XRAY 1.71 0.191 0.225 C 295.0 260.0 31 24 24 0 [[589, 868], [897, 1171]] 2.0 8s99 TYR_TYK2-1_HUMAN TYR 4.1e-60 209.3 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: ZS3

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 3 100.0% 8S99B
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 8S99A P29597 578 868 1187.0 ZS3:901 Type1 Pseudo DFGin 7.3994 12.7822 None -62.82, 155.3 -51.38, 147.9 -74.24, -0.55 28.63, 142.53 65.17, -151.12 in-na in 9.6586 Saltbr-na 999.0 HRD-in -82.17, -60.98 83.64, 7.23 na-out-out SNCaoo out-out ActLoopNT-out 8.3299 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -62.74, -38.21 APE9-dihe-out -59.13, -29.8 APE8-dihe-out -88.76, 1.4 APE8-rot-na 298.32 APE67-dihe-out -97.29, 12.8 -68.06, 135.28 APE12-dist-na 9.9277 APE11-dist-na 12.29 APE10-dist-na 16.5863 APE9-dist-out 11.7615 None None None XRAY 1.71 0.191 0.225 A 295.0 261.0 30 24 24 0 [[589, 868], [897, 1171]] 2.0 8s99 Homo sapiens TYR_TYK2-1_HUMAN TYR 4.1e-60 209.3 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 8S99B P29597 579 867 1187.0 ZS3:901 Type1 Pseudo DFGin 7.4426 12.6145 None -56.5, 153.96 -51.89, 147.7 -74.35, -1.31 29.46, 140.64 65.58, -151.37 in-na in 9.5567 Saltbr-na 999.0 HRD-in -80.48, -58.61 84.39, 4.19 na-out-out SNCaoo out-out ActLoopNT-out 8.4257 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -63.04, -40.63 APE9-dihe-out -58.98, -25.02 APE8-dihe-out -89.21, 1.32 APE8-rot-na 294.34 APE67-dihe-out -101.31, 17.67 -66.15, 136.61 APE12-dist-na 9.9093 APE11-dist-na 12.1858 APE10-dist-na 16.4711 APE9-dist-out 11.849 None None None XRAY 1.71 0.191 0.225 B 295.0 261.0 29 24 24 0 [[589, 868], [897, 1171]] 2.0 8s99 Homo sapiens TYR_TYK2-1_HUMAN TYR 4.1e-60 209.3 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 8S99C P29597 578 867 1187.0 ZS3:901 Type1 Pseudo DFGin 7.4621 12.589 None -61.71, 157.01 -52.78, 147.81 -73.85, -0.24 30.37, 137.25 70.68, -153.5 in-na in 9.5877 Saltbr-na 999.0 HRD-in -82.08, -63.18 88.21, 6.86 na-out-out SNCaoo out-out ActLoopNT-out 8.1733 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -63.66, -43.16 APE9-dihe-out -54.27, -29.75 APE8-dihe-out -91.84, 3.24 APE8-rot-na 295.26 APE67-dihe-out -102.57, 13.29 -66.4, 134.15 APE12-dist-na 9.7375 APE11-dist-na 12.4322 APE10-dist-na 16.5442 APE9-dist-out 11.6845 None None None XRAY 1.71 0.191 0.225 C 295.0 260.0 31 24 24 0 [[589, 868], [897, 1171]] 2.0 8s99 Homo sapiens TYR_TYK2-1_HUMAN TYR 4.1e-60 209.3 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: ZS3

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