Ligand: R6M

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% 6VNGA
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 6VNGA O60674 841 1132 1132.0 R6M:1201 Type1 Inactive DFGin 6.2839 13.5702 ABAminus -121.14, 0.07 -154.35, 134.43 -129.13, 26.03 303.3, 79.75 -62.14, -18.06 in-in in 8.525 Saltbr-in 2.7236 HRD-in -71.67, -45.35 75.28, -26.53 in-in-in SNCiii in-in ActLoopNT-in 2.9387 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -150.97, 166.68 APE9-dihe-in -128.34, 153.91 APE8-dihe-in -88.8, 83.93 APE8-rot-na 25.03 APE67-dihe-in -83.51, 0.54 -62.02, -27.23 APE12-dist-na 13.1571 APE11-dist-na 10.0423 APE10-dist-na 11.299 APE9-dist-in 7.2811 None PTR1007 PTR1007 XRAY 2.5 0.213 0.251 A 308.0 292.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 6vng 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 6VNGB O60674 843 1131 1132.0 R6M:1201 Type1 Inactive DFGin 6.084 13.4415 ABAminus -119.47, 1.55 -153.39, 138.22 -129.51, 27.29 300.51, 84.65 -62.17, -19.61 in-in in 8.5415 Saltbr-in 2.5251 HRD-in -72.31, -45.0 74.08, -28.57 in-in-out SNCiio in-out ActLoopNT-in 2.9123 ActLoopCT-out TYR APEdihe_ioiai APEdist_aaai APE10-dihe-in -151.17, 167.67 APE9-dihe-out -117.53, -162.05 APE8-dihe-in -85.16, 86.67 APE8-rot-na 28.85 APE67-dihe-in -81.37, 0.25 -61.69, -27.42 APE12-dist-na 13.1988 APE11-dist-na 12.8129 APE10-dist-na 13.0333 APE9-dist-in 7.7655 None PTR1007 PTR1007 XRAY 2.5 0.213 0.251 B 308.0 289.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 6vng 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: R6M

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% 6VNGA
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 6VNGA O60674 841 1132 1132.0 R6M:1201 Type1 Inactive DFGin 6.2839 13.5702 ABAminus -121.14, 0.07 -154.35, 134.43 -129.13, 26.03 303.3, 79.75 -62.14, -18.06 in-in in 8.525 Saltbr-in 2.7236 HRD-in -71.67, -45.35 75.28, -26.53 in-in-in SNCiii in-in ActLoopNT-in 2.9387 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -150.97, 166.68 APE9-dihe-in -128.34, 153.91 APE8-dihe-in -88.8, 83.93 APE8-rot-na 25.03 APE67-dihe-in -83.51, 0.54 -62.02, -27.23 APE12-dist-na 13.1571 APE11-dist-na 10.0423 APE10-dist-na 11.299 APE9-dist-in 7.2811 None PTR1007 PTR1007 XRAY 2.5 0.213 0.251 A 308.0 292.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 6vng 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 6VNGB O60674 843 1131 1132.0 R6M:1201 Type1 Inactive DFGin 6.084 13.4415 ABAminus -119.47, 1.55 -153.39, 138.22 -129.51, 27.29 300.51, 84.65 -62.17, -19.61 in-in in 8.5415 Saltbr-in 2.5251 HRD-in -72.31, -45.0 74.08, -28.57 in-in-out SNCiio in-out ActLoopNT-in 2.9123 ActLoopCT-out TYR APEdihe_ioiai APEdist_aaai APE10-dihe-in -151.17, 167.67 APE9-dihe-out -117.53, -162.05 APE8-dihe-in -85.16, 86.67 APE8-rot-na 28.85 APE67-dihe-in -81.37, 0.25 -61.69, -27.42 APE12-dist-na 13.1988 APE11-dist-na 12.8129 APE10-dist-na 13.0333 APE9-dist-in 7.7655 None PTR1007 PTR1007 XRAY 2.5 0.213 0.251 B 308.0 289.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 6vng 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: R6M

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