Ligand: 50Y

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% 5CF4B
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 5CF4A O60674 843 1131 1132.0 50Y:4000 Type1 Inactive DFGin 6.2954 13.5795 ABAminus -103.56, 3.37 -156.43, 145.58 -135.49, 36.18 298.36, 87.67 -61.24, -32.94 in-in in 8.4712 Saltbr-in 2.725 HRD-in -60.77, -47.53 65.86, 5.68 in-in-in SNCiii in-in ActLoopNT-in 2.7533 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -76.53, 110.94 APE9-dihe-in -84.82, 139.81 APE8-dihe-in -78.84, 67.91 APE8-rot-na 30.09 APE67-dihe-in -80.84, 0.88 -52.35, -28.91 APE12-dist-na 13.0139 APE11-dist-na 12.1711 APE10-dist-na 13.1906 APE9-dist-in 7.8124 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.38 0.252 0.253 A 321.0 285.0 4 31 31 0 [[545, 807], [849, 1125]] 2.0 5cf4 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 5CF4B O60674 839 1132 1132.0 50Y:4000 Type1 Inactive DFGin 6.3567 13.6094 ABAminus -103.87, 5.06 -157.73, 143.99 -135.02, 36.0 298.42, 86.53 -61.5, -31.7 in-in in 8.4493 Saltbr-in 2.768 HRD-in -62.02, -51.24 72.04, 5.25 in-in-out SNCiio in-out ActLoopNT-in 2.7562 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out 49.02, 84.4 APE9-dihe-in -103.49, 134.66 APE8-dihe-in -78.95, 68.18 APE8-rot-na 29.68 APE67-dihe-in -80.17, 0.94 -52.54, -29.08 APE12-dist-na 12.8725 APE11-dist-na 11.4027 APE10-dist-na 11.8543 APE9-dist-in 7.8674 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.38 0.252 0.253 B 321.0 293.0 1 31 31 0 [[545, 807], [849, 1125]] 2.0 5cf4 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: 50Y

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% 5CF4B
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 5CF4A O60674 843 1131 1132.0 50Y:4000 Type1 Inactive DFGin 6.2954 13.5795 ABAminus -103.56, 3.37 -156.43, 145.58 -135.49, 36.18 298.36, 87.67 -61.24, -32.94 in-in in 8.4712 Saltbr-in 2.725 HRD-in -60.77, -47.53 65.86, 5.68 in-in-in SNCiii in-in ActLoopNT-in 2.7533 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -76.53, 110.94 APE9-dihe-in -84.82, 139.81 APE8-dihe-in -78.84, 67.91 APE8-rot-na 30.09 APE67-dihe-in -80.84, 0.88 -52.35, -28.91 APE12-dist-na 13.0139 APE11-dist-na 12.1711 APE10-dist-na 13.1906 APE9-dist-in 7.8124 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.38 0.252 0.253 A 321.0 285.0 4 31 31 0 [[545, 807], [849, 1125]] 2.0 5cf4 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 5CF4B O60674 839 1132 1132.0 50Y:4000 Type1 Inactive DFGin 6.3567 13.6094 ABAminus -103.87, 5.06 -157.73, 143.99 -135.02, 36.0 298.42, 86.53 -61.5, -31.7 in-in in 8.4493 Saltbr-in 2.768 HRD-in -62.02, -51.24 72.04, 5.25 in-in-out SNCiio in-out ActLoopNT-in 2.7562 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out 49.02, 84.4 APE9-dihe-in -103.49, 134.66 APE8-dihe-in -78.95, 68.18 APE8-rot-na 29.68 APE67-dihe-in -80.17, 0.94 -52.54, -29.08 APE12-dist-na 12.8725 APE11-dist-na 11.4027 APE10-dist-na 11.8543 APE9-dist-in 7.8674 None PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.38 0.252 0.253 B 321.0 293.0 1 31 31 0 [[545, 807], [849, 1125]] 2.0 5cf4 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: 50Y

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