Ligand: 3O4

Total number of chains: 4
Active chains: 4
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 4BBEA
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 4BBEA O60674 841 1128 1132.0 3O4:2229 Type1 Active DFGin 6.4018 14.3298 BLAminus -125.98, -167.12 51.58, 81.25 -103.28, 27.34 292.11, 90.95 -69.35, -30.44 in-in in 8.6146 Saltbr-in 2.753 HRD-in -62.89, -44.94 65.81, -4.46 in-in-in SNCiii in-in ActLoopNT-in 2.8641 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -105.13, 115.7 APE9-dihe-in -138.06, 143.88 APE8-dihe-in -67.9, 80.65 APE8-rot-na 24.27 APE67-dihe-in -82.38, -6.87 -66.31, -22.61 APE12-dist-na 9.1495 APE11-dist-na 12.7133 APE10-dist-na 12.2141 APE9-dist-in 7.6872 D976N None None XRAY 1.9 0.344 0.359 A 298.0 288.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 4bbe TYR_JAK2-2_HUMAN TYR 9.7e-87 296.5 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 JAK2-2 JAK2_HUMAN 4BBEB O60674 841 1128 1132.0 3O4:2229 Type1 Active DFGin 6.2053 14.0737 BLAminus -127.29, -170.77 54.58, 85.32 -105.55, 29.26 294.25, 89.97 -70.75, -26.52 in-in in 8.6214 Saltbr-in 2.7694 HRD-in -63.86, -45.65 65.48, -0.2 in-in-in SNCiii in-in ActLoopNT-in 2.9642 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -125.21, 122.57 APE9-dihe-in -139.6, 145.84 APE8-dihe-in -69.38, 76.77 APE8-rot-na 24.94 APE67-dihe-in -79.94, -8.57 -65.61, -22.2 APE12-dist-na 10.1773 APE11-dist-na 12.6509 APE10-dist-na 11.9556 APE9-dist-in 7.5631 D976N None None XRAY 1.9 0.344 0.359 B 298.0 288.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 4bbe TYR_JAK2-2_HUMAN TYR 9.7e-87 296.5 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 JAK2-2 JAK2_HUMAN 4BBEC O60674 841 1128 1132.0 3O4:2229 Type1 Active DFGin 6.293 14.1885 BLAminus -126.43, -167.53 51.59, 82.16 -102.68, 26.48 292.93, 90.3 -68.82, -26.35 in-in in 8.7123 Saltbr-in 2.6086 HRD-in -65.59, -47.62 66.51, -1.03 in-in-in SNCiii in-in ActLoopNT-in 2.8505 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -134.93, 105.75 APE9-dihe-in -133.87, 147.84 APE8-dihe-in -67.78, 81.68 APE8-rot-na 24.27 APE67-dihe-in -82.22, -3.34 -67.19, -22.64 APE12-dist-na 10.3119 APE11-dist-na 12.8521 APE10-dist-na 12.2144 APE9-dist-in 7.6799 D976N None None XRAY 1.9 0.344 0.359 C 298.0 288.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 4bbe TYR_JAK2-2_HUMAN TYR 9.7e-87 296.5 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 JAK2-2 JAK2_HUMAN 4BBED O60674 841 1128 1132.0 3O4:2229 Type1 Active DFGin 6.3989 14.3064 BLAminus -126.45, -167.95 52.52, 81.86 -103.52, 26.55 291.97, 89.91 -69.01, -29.54 in-in in 8.6058 Saltbr-in 2.7311 HRD-in -63.92, -45.32 65.09, -4.3 in-in-in SNCiii in-in ActLoopNT-in 2.8261 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -112.16, 106.33 APE9-dihe-in -128.2, 144.76 APE8-dihe-in -68.04, 81.17 APE8-rot-na 24.25 APE67-dihe-in -80.48, -9.22 -66.73, -22.27 APE12-dist-na 9.4601 APE11-dist-na 12.6662 APE10-dist-na 12.3587 APE9-dist-in 7.7932 D976N None None XRAY 1.9 0.344 0.359 D 298.0 288.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 4bbe TYR_JAK2-2_HUMAN TYR 9.7e-87 296.5 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

Ligand: 3O4

Total number of chains: 4
Active chains: 4
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 4BBEA
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 4BBEA O60674 841 1128 1132.0 3O4:2229 Type1 Active DFGin 6.4018 14.3298 BLAminus -125.98, -167.12 51.58, 81.25 -103.28, 27.34 292.11, 90.95 -69.35, -30.44 in-in in 8.6146 Saltbr-in 2.753 HRD-in -62.89, -44.94 65.81, -4.46 in-in-in SNCiii in-in ActLoopNT-in 2.8641 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -105.13, 115.7 APE9-dihe-in -138.06, 143.88 APE8-dihe-in -67.9, 80.65 APE8-rot-na 24.27 APE67-dihe-in -82.38, -6.87 -66.31, -22.61 APE12-dist-na 9.1495 APE11-dist-na 12.7133 APE10-dist-na 12.2141 APE9-dist-in 7.6872 D976N None None XRAY 1.9 0.344 0.359 A 298.0 288.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 4bbe Homo sapiens TYR_JAK2-2_HUMAN TYR 9.7e-87 296.5 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 JAK2-2 JAK2_HUMAN 4BBEB O60674 841 1128 1132.0 3O4:2229 Type1 Active DFGin 6.2053 14.0737 BLAminus -127.29, -170.77 54.58, 85.32 -105.55, 29.26 294.25, 89.97 -70.75, -26.52 in-in in 8.6214 Saltbr-in 2.7694 HRD-in -63.86, -45.65 65.48, -0.2 in-in-in SNCiii in-in ActLoopNT-in 2.9642 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -125.21, 122.57 APE9-dihe-in -139.6, 145.84 APE8-dihe-in -69.38, 76.77 APE8-rot-na 24.94 APE67-dihe-in -79.94, -8.57 -65.61, -22.2 APE12-dist-na 10.1773 APE11-dist-na 12.6509 APE10-dist-na 11.9556 APE9-dist-in 7.5631 D976N None None XRAY 1.9 0.344 0.359 B 298.0 288.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 4bbe Homo sapiens TYR_JAK2-2_HUMAN TYR 9.7e-87 296.5 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 JAK2-2 JAK2_HUMAN 4BBEC O60674 841 1128 1132.0 3O4:2229 Type1 Active DFGin 6.293 14.1885 BLAminus -126.43, -167.53 51.59, 82.16 -102.68, 26.48 292.93, 90.3 -68.82, -26.35 in-in in 8.7123 Saltbr-in 2.6086 HRD-in -65.59, -47.62 66.51, -1.03 in-in-in SNCiii in-in ActLoopNT-in 2.8505 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -134.93, 105.75 APE9-dihe-in -133.87, 147.84 APE8-dihe-in -67.78, 81.68 APE8-rot-na 24.27 APE67-dihe-in -82.22, -3.34 -67.19, -22.64 APE12-dist-na 10.3119 APE11-dist-na 12.8521 APE10-dist-na 12.2144 APE9-dist-in 7.6799 D976N None None XRAY 1.9 0.344 0.359 C 298.0 288.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 4bbe Homo sapiens TYR_JAK2-2_HUMAN TYR 9.7e-87 296.5 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 JAK2-2 JAK2_HUMAN 4BBED O60674 841 1128 1132.0 3O4:2229 Type1 Active DFGin 6.3989 14.3064 BLAminus -126.45, -167.95 52.52, 81.86 -103.52, 26.55 291.97, 89.91 -69.01, -29.54 in-in in 8.6058 Saltbr-in 2.7311 HRD-in -63.92, -45.32 65.09, -4.3 in-in-in SNCiii in-in ActLoopNT-in 2.8261 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -112.16, 106.33 APE9-dihe-in -128.2, 144.76 APE8-dihe-in -68.04, 81.17 APE8-rot-na 24.25 APE67-dihe-in -80.48, -9.22 -66.73, -22.27 APE12-dist-na 9.4601 APE11-dist-na 12.6662 APE10-dist-na 12.3587 APE9-dist-in 7.7932 D976N None None XRAY 1.9 0.344 0.359 D 298.0 288.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 4bbe Homo sapiens TYR_JAK2-2_HUMAN TYR 9.7e-87 296.5 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

Ligand: 3O4

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