Ligand: R4S

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 100.0% 6VNYA
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 JAK1-2 JAK1_HUMAN 6W8LA P23458 867 1154 1154.0 R4S:1201 Type1 Inactive DFGin 6.5203 13.6387 ABAminus -117.57, 7.4 -146.11, 138.04 -131.96, 25.84 294.24, 93.82 -58.79, -29.12 in-in in 7.6993 Saltbr-in 2.7472 HRD-in -65.59, -50.27 70.66, 4.4 in-in-in SNCiii in-in ActLoopNT-in 2.7962 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -75.31, 154.48 APE9-dihe-in -145.69, 148.21 APE8-dihe-in -75.35, 73.33 APE8-rot-na 31.68 APE67-dihe-in -71.12, -8.39 -52.84, -34.47 APE12-dist-na 13.7303 APE11-dist-na 8.0423 APE10-dist-na 10.4812 APE9-dist-in 6.4005 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 2.11 0.197 0.226 A 316.0 280.0 8 31 31 0 [[583, 847], [875, 1151]] 2.0 6w8l TYR_JAK1-2_HUMAN TYR 2.6e-87 298.4 2.0 259.0 258.0 1020 1021 1022 1024 1026 908 925 929 1000 1002 1001 1003.0 1063 1051 1046 1045 1044 1043 1042 1041 1040 957 Tyrosine-protein kinase JAK1
TYR TYK2-2 TYK2_HUMAN 6VNYA P29597 889 1178 1187.0 R4S:4000 Type1 Inactive DFGin 6.7095 13.6417 ABAminus -108.42, 4.15 -147.63, 142.15 -133.65, 30.43 294.62, 90.13 -52.87, -33.85 in-in in 8.2309 Saltbr-in 2.7776 HRD-in -77.71, -50.71 72.39, -6.46 in-in-out SNCiio in-out ActLoopNT-in 2.8096 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -94.29, 3.77 APE9-dihe-in -73.55, 133.09 APE8-dihe-in -79.53, 66.39 APE8-rot-na 27.75 APE67-dihe-in -77.39, 0.21 -51.74, -32.37 APE12-dist-na 10.4064 APE11-dist-na 13.3495 APE10-dist-na 9.7063 APE9-dist-in 6.7713 C936A,Q969A,E971A,K972A,C1142A PTR1054 PTR1054 XRAY 2.3 0.176 0.229 A 318.0 287.0 3 31 28 3 [[589, 868], [897, 1171]] 2.0 6vny TYR_TYK2-2_HUMAN TYR 5.1e-82 281.0 2.0 260.0 259.0 1040 1041 1042 1044 1046 930 947 951 1020 1022 1021 1023.0 1083 1071 1066 1065 1064 1063 1062 1061 1060 979 Non-receptor tyrosine-protein kinase TYK2

Ligand: R4S

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 100.0% 6VNYA
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 JAK1-2 JAK1_HUMAN 6W8LA P23458 867 1154 1154.0 R4S:1201 Type1 Inactive DFGin 6.5203 13.6387 ABAminus -117.57, 7.4 -146.11, 138.04 -131.96, 25.84 294.24, 93.82 -58.79, -29.12 in-in in 7.6993 Saltbr-in 2.7472 HRD-in -65.59, -50.27 70.66, 4.4 in-in-in SNCiii in-in ActLoopNT-in 2.7962 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -75.31, 154.48 APE9-dihe-in -145.69, 148.21 APE8-dihe-in -75.35, 73.33 APE8-rot-na 31.68 APE67-dihe-in -71.12, -8.39 -52.84, -34.47 APE12-dist-na 13.7303 APE11-dist-na 8.0423 APE10-dist-na 10.4812 APE9-dist-in 6.4005 None PTR1034,PTR1035 PTR1034,PTR1035 XRAY 2.11 0.197 0.226 A 316.0 280.0 8 31 31 0 [[583, 847], [875, 1151]] 2.0 6w8l Homo sapiens TYR_JAK1-2_HUMAN TYR 2.6e-87 298.4 2.0 259.0 258.0 1020 1021 1022 1024 1026 908 925 929 1000 1002 1001 1003.0 1063 1051 1046 1045 1044 1043 1042 1041 1040 957 Tyrosine-protein kinase JAK1
TYR TYK2-2 TYK2_HUMAN 6VNYA P29597 889 1178 1187.0 R4S:4000 Type1 Inactive DFGin 6.7095 13.6417 ABAminus -108.42, 4.15 -147.63, 142.15 -133.65, 30.43 294.62, 90.13 -52.87, -33.85 in-in in 8.2309 Saltbr-in 2.7776 HRD-in -77.71, -50.71 72.39, -6.46 in-in-out SNCiio in-out ActLoopNT-in 2.8096 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -94.29, 3.77 APE9-dihe-in -73.55, 133.09 APE8-dihe-in -79.53, 66.39 APE8-rot-na 27.75 APE67-dihe-in -77.39, 0.21 -51.74, -32.37 APE12-dist-na 10.4064 APE11-dist-na 13.3495 APE10-dist-na 9.7063 APE9-dist-in 6.7713 C936A,Q969A,E971A,K972A,C1142A PTR1054 PTR1054 XRAY 2.3 0.176 0.229 A 318.0 287.0 3 31 28 3 [[589, 868], [897, 1171]] 2.0 6vny Homo sapiens TYR_TYK2-2_HUMAN TYR 5.1e-82 281.0 2.0 260.0 259.0 1040 1041 1042 1044 1046 930 947 951 1020 1022 1021 1023.0 1083 1071 1066 1065 1064 1063 1062 1061 1060 979 Non-receptor tyrosine-protein kinase TYK2

Ligand: R4S

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