Ligand: DQX

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 3KRRA
DFGin None 1 50.0% 5UT4A
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 3KRRA O60674 840 1131 1132.0 DQX:60001 Type1 Inactive DFGin 6.111 13.3548 ABAminus -118.83, -1.24 -150.38, 145.98 -134.02, 25.36 296.32, 84.62 -62.03, -27.75 in-in in 8.4718 Saltbr-in 2.6572 HRD-in -68.72, -45.54 74.36, -23.06 in-in-in SNCiii in-in ActLoopNT-in 2.8013 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -46.19, 121.88 APE9-dihe-in -140.07, 105.66 APE8-dihe-in -75.55, 70.84 APE8-rot-na 30.39 APE67-dihe-in -77.46, -5.4 -55.44, -28.31 APE12-dist-na 10.2135 APE11-dist-na 10.0369 APE10-dist-na 7.409 APE9-dist-in 7.2709 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 1.8 0.169 0.206 A 295.0 292.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 3krr TYR_JAK2-2_HUMAN TYR 2.5e-87 298.5 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 JAK2-1 JAK2_HUMAN 5UT4A O60674 537 809 1132.0 DQX:901 Type1 Pseudo DFGin 7.4596 13.2847 None -91.51, 174.25 -72.2, 155.17 -81.53, -6.98 30.25, 144.04 71.5, -173.67 in-na in 9.7389 Saltbr-na 999.0 HRD-in -82.44, -62.81 97.57, -6.96 na-out-out SNCaoo out-out ActLoopNT-out 9.5951 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -66.04, -37.57 APE9-dihe-out -62.17, -24.8 APE8-dihe-out -89.02, 2.73 APE8-rot-na 291.23 APE67-dihe-out -103.04, 31.05 -61.52, 137.36 APE12-dist-na 9.8738 APE11-dist-na 11.6283 APE10-dist-na 16.1461 APE9-dist-out 12.7464 W659A,W777A,F794H None None XRAY 2.0 0.18 0.22 A 289.0 273.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 5ut4 TYR_JAK2-1_HUMAN TYR 1.9e-64 223.4 2.0 260.0 259.0 698 699 700 702 704 581 597 601 670 672 671 673.0 735 722 717 716 715 714 713 712 711 627 Tyrosine-protein kinase JAK2

Ligand: DQX

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 3KRRA
DFGin None 1 50.0% 5UT4A
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 3KRRA O60674 840 1131 1132.0 DQX:60001 Type1 Inactive DFGin 6.111 13.3548 ABAminus -118.83, -1.24 -150.38, 145.98 -134.02, 25.36 296.32, 84.62 -62.03, -27.75 in-in in 8.4718 Saltbr-in 2.6572 HRD-in -68.72, -45.54 74.36, -23.06 in-in-in SNCiii in-in ActLoopNT-in 2.8013 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -46.19, 121.88 APE9-dihe-in -140.07, 105.66 APE8-dihe-in -75.55, 70.84 APE8-rot-na 30.39 APE67-dihe-in -77.46, -5.4 -55.44, -28.31 APE12-dist-na 10.2135 APE11-dist-na 10.0369 APE10-dist-na 7.409 APE9-dist-in 7.2709 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 1.8 0.169 0.206 A 295.0 292.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 3krr Homo sapiens TYR_JAK2-2_HUMAN TYR 2.5e-87 298.5 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 JAK2-1 JAK2_HUMAN 5UT4A O60674 537 809 1132.0 DQX:901 Type1 Pseudo DFGin 7.4596 13.2847 None -91.51, 174.25 -72.2, 155.17 -81.53, -6.98 30.25, 144.04 71.5, -173.67 in-na in 9.7389 Saltbr-na 999.0 HRD-in -82.44, -62.81 97.57, -6.96 na-out-out SNCaoo out-out ActLoopNT-out 9.5951 ActLoopCT-out TYR APEdihe_oooao APEdist_aaao APE10-dihe-out -66.04, -37.57 APE9-dihe-out -62.17, -24.8 APE8-dihe-out -89.02, 2.73 APE8-rot-na 291.23 APE67-dihe-out -103.04, 31.05 -61.52, 137.36 APE12-dist-na 9.8738 APE11-dist-na 11.6283 APE10-dist-na 16.1461 APE9-dist-out 12.7464 W659A,W777A,F794H None None XRAY 2.0 0.18 0.22 A 289.0 273.0 0 24 24 0 [[545, 807], [849, 1125]] 2.0 5ut4 Homo sapiens TYR_JAK2-1_HUMAN TYR 1.9e-64 223.4 2.0 260.0 259.0 698 699 700 702 704 581 597 601 670 672 671 673.0 735 722 717 716 715 714 713 712 711 627 Tyrosine-protein kinase JAK2

Ligand: DQX

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