Ligand: 2TA (Fedratinib)

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% 6VNEA
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 6VNEA O60674 840 1131 1132.0 2TA:1201 Type1 Inactive DFGin 6.2397 13.5505 ABAminus -112.42, -11.2 -144.98, 141.53 -127.78, 32.23 299.17, 89.49 -63.48, -25.65 in-in in 8.6645 Saltbr-in 3.0359 HRD-in -73.58, -49.14 71.52, -8.03 in-in-in SNCiii in-in ActLoopNT-in 2.8283 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -75.09, 122.45 APE9-dihe-in -105.67, 157.15 APE8-dihe-in -76.97, 84.95 APE8-rot-na 28.57 APE67-dihe-in -90.04, 0.84 -78.4, -8.76 APE12-dist-na 9.5595 APE11-dist-na 10.6495 APE10-dist-na 13.3625 APE9-dist-in 7.541 None PTR1007 PTR1007 XRAY 2.32 0.218 0.256 A 308.0 292.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 6vne 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 6VNEB O60674 843 1131 1132.0 2TA:1201 Type1 Inactive DFGin 6.117 13.2245 ABAminus -110.41, -14.18 -143.68, 142.64 -126.91, 32.7 300.48, 90.31 -63.79, -30.1 in-in in 8.677 Saltbr-in 2.4843 HRD-in -71.56, -46.99 72.0, -8.33 in-in-out SNCiio in-out ActLoopNT-in 2.815 ActLoopCT-out TYR APEdihe_iiiai APEdist_aaao APE10-dihe-in -93.72, 133.02 APE9-dihe-in -103.49, 156.39 APE8-dihe-in -78.16, 83.6 APE8-rot-na 32.04 APE67-dihe-in -91.27, 0.43 -78.58, -6.63 APE12-dist-na 13.2245 APE11-dist-na 13.0608 APE10-dist-na 14.2169 APE9-dist-out 8.3007 None PTR1007 PTR1007 XRAY 2.32 0.218 0.256 B 308.0 289.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 6vne 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: 2TA (Fedratinib)

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% 6VNEA
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 6VNEA O60674 840 1131 1132.0 2TA:1201 Type1 Inactive DFGin 6.2397 13.5505 ABAminus -112.42, -11.2 -144.98, 141.53 -127.78, 32.23 299.17, 89.49 -63.48, -25.65 in-in in 8.6645 Saltbr-in 3.0359 HRD-in -73.58, -49.14 71.52, -8.03 in-in-in SNCiii in-in ActLoopNT-in 2.8283 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -75.09, 122.45 APE9-dihe-in -105.67, 157.15 APE8-dihe-in -76.97, 84.95 APE8-rot-na 28.57 APE67-dihe-in -90.04, 0.84 -78.4, -8.76 APE12-dist-na 9.5595 APE11-dist-na 10.6495 APE10-dist-na 13.3625 APE9-dist-in 7.541 None PTR1007 PTR1007 XRAY 2.32 0.218 0.256 A 308.0 292.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 6vne 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 6VNEB O60674 843 1131 1132.0 2TA:1201 Type1 Inactive DFGin 6.117 13.2245 ABAminus -110.41, -14.18 -143.68, 142.64 -126.91, 32.7 300.48, 90.31 -63.79, -30.1 in-in in 8.677 Saltbr-in 2.4843 HRD-in -71.56, -46.99 72.0, -8.33 in-in-out SNCiio in-out ActLoopNT-in 2.815 ActLoopCT-out TYR APEdihe_iiiai APEdist_aaao APE10-dihe-in -93.72, 133.02 APE9-dihe-in -103.49, 156.39 APE8-dihe-in -78.16, 83.6 APE8-rot-na 32.04 APE67-dihe-in -91.27, 0.43 -78.58, -6.63 APE12-dist-na 13.2245 APE11-dist-na 13.0608 APE10-dist-na 14.2169 APE9-dist-out 8.3007 None PTR1007 PTR1007 XRAY 2.32 0.218 0.256 B 308.0 289.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 6vne 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: 2TA (Fedratinib)

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