Ligand: 50W

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% 5CF5B
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 5CF5A O60674 842 1132 1132.0 50W:64000 Type1 Inactive DFGin 6.318 13.5813 ABAminus -106.13, 0.46 -155.61, 145.68 -133.99, 32.21 297.37, 84.13 -60.56, -30.29 in-in in 8.4987 Saltbr-in 2.7764 HRD-in -63.82, -46.49 65.44, 2.47 in-in-out SNCiio in-out ActLoopNT-in 2.754 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out 18.66, 109.36 APE9-dihe-in -98.47, 150.84 APE8-dihe-in -80.28, 69.58 APE8-rot-na 31.09 APE67-dihe-in -78.37, -4.04 -58.67, -29.57 APE12-dist-na 12.9113 APE11-dist-na 12.7692 APE10-dist-na 13.2762 APE9-dist-out 8.0221 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.45 0.187 0.199 A 321.0 288.0 3 31 31 0 [[545, 807], [849, 1125]] 2.0 5cf5 TYR_JAK2-2_HUMAN TYR 3.4e-87 298.0 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 5CF5B O60674 839 1132 1132.0 50W:64000 Type1 Inactive DFGin 6.3657 13.5856 ABAminus -105.36, 0.35 -155.34, 144.46 -134.01, 32.12 297.68, 83.75 -61.64, -29.62 in-in in 8.4546 Saltbr-in 2.8128 HRD-in -64.6, -47.11 66.71, 2.52 in-in-in SNCiii in-in ActLoopNT-in 2.7628 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -67.2, 111.77 APE9-dihe-in -119.03, 140.54 APE8-dihe-in -81.94, 67.92 APE8-rot-na 30.1 APE67-dihe-in -78.8, -4.12 -52.51, -28.89 APE12-dist-na 9.69 APE11-dist-na 10.8622 APE10-dist-na 11.8455 APE9-dist-in 7.8751 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.45 0.187 0.199 B 321.0 294.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 5cf5 TYR_JAK2-2_HUMAN TYR 3.4e-87 298.0 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: 50W

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% 5CF5B
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 5CF5A O60674 842 1132 1132.0 50W:64000 Type1 Inactive DFGin 6.318 13.5813 ABAminus -106.13, 0.46 -155.61, 145.68 -133.99, 32.21 297.37, 84.13 -60.56, -30.29 in-in in 8.4987 Saltbr-in 2.7764 HRD-in -63.82, -46.49 65.44, 2.47 in-in-out SNCiio in-out ActLoopNT-in 2.754 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out 18.66, 109.36 APE9-dihe-in -98.47, 150.84 APE8-dihe-in -80.28, 69.58 APE8-rot-na 31.09 APE67-dihe-in -78.37, -4.04 -58.67, -29.57 APE12-dist-na 12.9113 APE11-dist-na 12.7692 APE10-dist-na 13.2762 APE9-dist-out 8.0221 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.45 0.187 0.199 A 321.0 288.0 3 31 31 0 [[545, 807], [849, 1125]] 2.0 5cf5 Homo sapiens TYR_JAK2-2_HUMAN TYR 3.4e-87 298.0 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 5CF5B O60674 839 1132 1132.0 50W:64000 Type1 Inactive DFGin 6.3657 13.5856 ABAminus -105.36, 0.35 -155.34, 144.46 -134.01, 32.12 297.68, 83.75 -61.64, -29.62 in-in in 8.4546 Saltbr-in 2.8128 HRD-in -64.6, -47.11 66.71, 2.52 in-in-in SNCiii in-in ActLoopNT-in 2.7628 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -67.2, 111.77 APE9-dihe-in -119.03, 140.54 APE8-dihe-in -81.94, 67.92 APE8-rot-na 30.1 APE67-dihe-in -78.8, -4.12 -52.51, -28.89 APE12-dist-na 9.69 APE11-dist-na 10.8622 APE10-dist-na 11.8455 APE9-dist-in 7.8751 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.45 0.187 0.199 B 321.0 294.0 0 31 31 0 [[545, 807], [849, 1125]] 2.0 5cf5 Homo sapiens TYR_JAK2-2_HUMAN TYR 3.4e-87 298.0 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: 50W

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