Ligand: R6S

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 100.0% 6VNFA
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 JAK2-2 JAK2_HUMAN 6VNFA O60674 840 1132 1132.0 R6S:61201 Type1 Inactive DFGin 6.4009 13.6023 ABAminus -118.43, -3.64 -151.35, 141.65 -132.21, 29.14 295.59, 85.58 -63.11, -24.0 in-in in 8.5754 Saltbr-in 2.9715 HRD-in -72.52, -45.08 76.22, -28.49 in-in-in SNCiii in-in ActLoopNT-in 2.8464 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -85.59, 126.97 APE9-dihe-in -119.09, 117.22 APE8-dihe-in -78.88, 74.74 APE8-rot-na 28.3 APE67-dihe-in -82.18, -0.54 -60.56, -26.17 APE12-dist-na 13.6277 APE11-dist-na 9.9934 APE10-dist-na 8.5631 APE9-dist-in 7.3841 None PTR1007 PTR1007 XRAY 2.06 0.194 0.222 A 308.0 293.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 6vnf TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 1.0 260.0 260.0 993 994 995 997 999 882 898 902 973 975 974 976.0 1036 1024 1019 1018 1017 1016 1015 1014 1013 930 Tyrosine-protein kinase JAK2
TYR JAK2-2 JAK2_HUMAN 6VNFB O60674 841 1131 1132.0 R6S:61201 Type1 Inactive DFGin 6.1353 13.5367 ABAminus -117.95, -1.25 -153.05, 143.83 -133.46, 28.47 293.84, 87.12 -62.91, -26.87 in-in in 8.6577 Saltbr-in 2.8154 HRD-in -75.84, -43.4 73.32, -33.47 in-in-out SNCiio in-out ActLoopNT-in 2.7816 ActLoopCT-out TYR APEdihe_iiiai APEdist_aaao APE10-dihe-in -86.85, 129.3 APE9-dihe-in -107.76, 138.95 APE8-dihe-in -69.74, 71.65 APE8-rot-na 30.42 APE67-dihe-in -79.11, -3.05 -64.43, -23.08 APE12-dist-na 13.1036 APE11-dist-na 12.4782 APE10-dist-na 13.6566 APE9-dist-out 8.7563 None PTR1007 PTR1007 XRAY 2.06 0.194 0.222 B 308.0 291.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 6vnf TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 1.0 260.0 260.0 993 994 995 997 999 882 898 902 973 975 974 976.0 1036 1024 1019 1018 1017 1016 1015 1014 1013 930 Tyrosine-protein kinase JAK2

Ligand: R6S

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 100.0% 6VNFA
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 JAK2-2 JAK2_HUMAN 6VNFA O60674 840 1132 1132.0 R6S:61201 Type1 Inactive DFGin 6.4009 13.6023 ABAminus -118.43, -3.64 -151.35, 141.65 -132.21, 29.14 295.59, 85.58 -63.11, -24.0 in-in in 8.5754 Saltbr-in 2.9715 HRD-in -72.52, -45.08 76.22, -28.49 in-in-in SNCiii in-in ActLoopNT-in 2.8464 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -85.59, 126.97 APE9-dihe-in -119.09, 117.22 APE8-dihe-in -78.88, 74.74 APE8-rot-na 28.3 APE67-dihe-in -82.18, -0.54 -60.56, -26.17 APE12-dist-na 13.6277 APE11-dist-na 9.9934 APE10-dist-na 8.5631 APE9-dist-in 7.3841 None PTR1007 PTR1007 XRAY 2.06 0.194 0.222 A 308.0 293.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 6vnf Homo sapiens TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 1.0 260.0 260.0 993 994 995 997 999 882 898 902 973 975 974 976.0 1036 1024 1019 1018 1017 1016 1015 1014 1013 930 Tyrosine-protein kinase JAK2
TYR JAK2-2 JAK2_HUMAN 6VNFB O60674 841 1131 1132.0 R6S:61201 Type1 Inactive DFGin 6.1353 13.5367 ABAminus -117.95, -1.25 -153.05, 143.83 -133.46, 28.47 293.84, 87.12 -62.91, -26.87 in-in in 8.6577 Saltbr-in 2.8154 HRD-in -75.84, -43.4 73.32, -33.47 in-in-out SNCiio in-out ActLoopNT-in 2.7816 ActLoopCT-out TYR APEdihe_iiiai APEdist_aaao APE10-dihe-in -86.85, 129.3 APE9-dihe-in -107.76, 138.95 APE8-dihe-in -69.74, 71.65 APE8-rot-na 30.42 APE67-dihe-in -79.11, -3.05 -64.43, -23.08 APE12-dist-na 13.1036 APE11-dist-na 12.4782 APE10-dist-na 13.6566 APE9-dist-out 8.7563 None PTR1007 PTR1007 XRAY 2.06 0.194 0.222 B 308.0 291.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 6vnf Homo sapiens TYR_JAK2-2_HUMAN TYR 2.9e-87 298.2 1.0 260.0 260.0 993 994 995 997 999 882 898 902 973 975 974 976.0 1036 1024 1019 1018 1017 1016 1015 1014 1013 930 Tyrosine-protein kinase JAK2

Ligand: R6S

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