Ligand: S4R

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% 8BXCA
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 8BXCA O60674 840 1132 1132.0 S4R:1201 Type1 Inactive DFGin 6.3167 13.2725 ABAminus -114.09, -8.87 -149.97, 142.12 -133.77, 26.82 296.68, 81.56 -66.21, -23.2 in-in in 8.4138 Saltbr-in 2.8295 HRD-in -70.66, -50.65 75.15, -2.01 in-in-in SNCiii in-in ActLoopNT-in 2.7508 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -59.68, 118.56 APE9-dihe-in -120.33, 123.76 APE8-dihe-in -80.89, 77.22 APE8-rot-na 32.94 APE67-dihe-in -79.78, -1.06 -63.1, -26.51 APE12-dist-na 11.2755 APE11-dist-na 10.0164 APE10-dist-na 9.6248 APE9-dist-in 7.1874 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 1.9 0.185 0.212 A 316.0 293.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 8bxc TYR_JAK2-2_HUMAN TYR 3.2e-87 298.1 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 8BXCB O60674 840 1131 1132.0 S4R:1202 Type1 Inactive DFGin 6.3293 13.4133 ABAminus -113.04, -4.23 -153.84, 142.12 -133.27, 27.51 295.22, 80.62 -63.7, -24.73 in-in in 8.3476 Saltbr-in 2.6871 HRD-in -71.82, -48.34 71.63, 1.45 in-in-out SNCiio in-out ActLoopNT-in 2.7838 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out 57.98, 67.78 APE9-dihe-in -109.48, 127.54 APE8-dihe-in -76.72, 73.7 APE8-rot-na 31.9 APE67-dihe-in -80.49, -2.19 -63.42, -23.88 APE12-dist-na 10.6447 APE11-dist-na 10.8484 APE10-dist-na 9.6167 APE9-dist-in 7.1518 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 1.9 0.185 0.212 B 316.0 292.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 8bxc TYR_JAK2-2_HUMAN TYR 3.2e-87 298.1 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: S4R

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% 8BXCA
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 8BXCA O60674 840 1132 1132.0 S4R:1201 Type1 Inactive DFGin 6.3167 13.2725 ABAminus -114.09, -8.87 -149.97, 142.12 -133.77, 26.82 296.68, 81.56 -66.21, -23.2 in-in in 8.4138 Saltbr-in 2.8295 HRD-in -70.66, -50.65 75.15, -2.01 in-in-in SNCiii in-in ActLoopNT-in 2.7508 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -59.68, 118.56 APE9-dihe-in -120.33, 123.76 APE8-dihe-in -80.89, 77.22 APE8-rot-na 32.94 APE67-dihe-in -79.78, -1.06 -63.1, -26.51 APE12-dist-na 11.2755 APE11-dist-na 10.0164 APE10-dist-na 9.6248 APE9-dist-in 7.1874 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 1.9 0.185 0.212 A 316.0 293.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 8bxc Homo sapiens TYR_JAK2-2_HUMAN TYR 3.2e-87 298.1 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 8BXCB O60674 840 1131 1132.0 S4R:1202 Type1 Inactive DFGin 6.3293 13.4133 ABAminus -113.04, -4.23 -153.84, 142.12 -133.27, 27.51 295.22, 80.62 -63.7, -24.73 in-in in 8.3476 Saltbr-in 2.6871 HRD-in -71.82, -48.34 71.63, 1.45 in-in-out SNCiio in-out ActLoopNT-in 2.7838 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out 57.98, 67.78 APE9-dihe-in -109.48, 127.54 APE8-dihe-in -76.72, 73.7 APE8-rot-na 31.9 APE67-dihe-in -80.49, -2.19 -63.42, -23.88 APE12-dist-na 10.6447 APE11-dist-na 10.8484 APE10-dist-na 9.6167 APE9-dist-in 7.1518 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 1.9 0.185 0.212 B 316.0 292.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 8bxc Homo sapiens TYR_JAK2-2_HUMAN TYR 3.2e-87 298.1 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: S4R

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