Ligand: J2I

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% 3Q32A
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 3Q32A O60674 840 1132 1132.0 J2I:60001 Type1 Inactive DFGin 6.3613 13.1598 ABAminus -114.0, 9.8 -155.91, 140.25 -131.27, 26.73 299.78, 91.25 -53.97, -36.83 in-in in 8.5069 Saltbr-in 2.7344 HRD-in -67.89, -51.07 72.0, 2.71 in-in-in SNCiii in-in ActLoopNT-in 2.6716 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -99.02, 124.49 APE9-dihe-in -104.36, 146.31 APE8-dihe-in -75.92, 65.47 APE8-rot-na 28.37 APE67-dihe-in -65.9, -9.93 -48.92, -44.51 APE12-dist-na 13.0545 APE11-dist-na 12.8661 APE10-dist-na 13.1287 APE9-dist-in 7.9294 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.5 0.178 0.21 A 301.0 293.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 3q32 TYR_JAK2-2_HUMAN TYR 2.7e-87 298.4 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 3Q32B O60674 839 1132 1132.0 J2I:60002 Type1 Inactive DFGin 6.5666 13.418 ABAminus -99.13, -6.07 -150.2, 138.61 -127.33, 32.33 296.64, 91.2 -58.16, -35.1 in-in in 8.3326 Saltbr-in 3.0276 HRD-in -64.89, -50.46 73.01, -21.55 in-in-out SNCiio in-out ActLoopNT-in 2.7266 ActLoopCT-out TYR APEdihe_ooiai APEdist_aaai APE10-dihe-out 54.05, -68.26 APE9-dihe-out 64.56, 127.18 APE8-dihe-in -78.63, 72.28 APE8-rot-na 27.75 APE67-dihe-in -79.48, -5.64 -54.11, -32.33 APE12-dist-na 10.4286 APE11-dist-na 10.2771 APE10-dist-na 11.348 APE9-dist-in 7.5008 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.5 0.178 0.21 B 301.0 294.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 3q32 TYR_JAK2-2_HUMAN TYR 2.7e-87 298.4 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: J2I

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% 3Q32A
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 3Q32A O60674 840 1132 1132.0 J2I:60001 Type1 Inactive DFGin 6.3613 13.1598 ABAminus -114.0, 9.8 -155.91, 140.25 -131.27, 26.73 299.78, 91.25 -53.97, -36.83 in-in in 8.5069 Saltbr-in 2.7344 HRD-in -67.89, -51.07 72.0, 2.71 in-in-in SNCiii in-in ActLoopNT-in 2.6716 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -99.02, 124.49 APE9-dihe-in -104.36, 146.31 APE8-dihe-in -75.92, 65.47 APE8-rot-na 28.37 APE67-dihe-in -65.9, -9.93 -48.92, -44.51 APE12-dist-na 13.0545 APE11-dist-na 12.8661 APE10-dist-na 13.1287 APE9-dist-in 7.9294 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.5 0.178 0.21 A 301.0 293.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 3q32 Homo sapiens TYR_JAK2-2_HUMAN TYR 2.7e-87 298.4 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 3Q32B O60674 839 1132 1132.0 J2I:60002 Type1 Inactive DFGin 6.5666 13.418 ABAminus -99.13, -6.07 -150.2, 138.61 -127.33, 32.33 296.64, 91.2 -58.16, -35.1 in-in in 8.3326 Saltbr-in 3.0276 HRD-in -64.89, -50.46 73.01, -21.55 in-in-out SNCiio in-out ActLoopNT-in 2.7266 ActLoopCT-out TYR APEdihe_ooiai APEdist_aaai APE10-dihe-out 54.05, -68.26 APE9-dihe-out 64.56, 127.18 APE8-dihe-in -78.63, 72.28 APE8-rot-na 27.75 APE67-dihe-in -79.48, -5.64 -54.11, -32.33 APE12-dist-na 10.4286 APE11-dist-na 10.2771 APE10-dist-na 11.348 APE9-dist-in 7.5008 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.5 0.178 0.21 B 301.0 294.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 3q32 Homo sapiens TYR_JAK2-2_HUMAN TYR 2.7e-87 298.4 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: J2I

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