Ligand: AZ5

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% 2XA4A
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 2XA4A O60674 843 1130 1132.0 AZ5:2131 Type1 Inactive DFGin 6.3206 13.8465 ABAminus -121.7, -5.46 -148.03, 137.82 -132.4, 31.72 296.05, 86.79 -68.8, -26.4 in-in in 8.5434 Saltbr-in 2.4863 HRD-in -71.2, -45.88 73.36, -2.24 in-in-none SNCiin in-none ActLoopNT-in 2.7544 ActLoopCT-none TYR APEdihe_niiai APEdist_aaai APE10-dihe-none 999.0, 126.78 APE9-dihe-in -107.35, 156.84 APE8-dihe-in -77.77, 72.68 APE8-rot-na 32.4 APE67-dihe-in -78.43, -2.14 -60.39, -28.3 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 12.5484 APE9-dist-in 7.4007 K943A,K945A PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.04 0.2 0.245 A 298.0 278.0 10 31 27 4 [[545, 807], [849, 1125]] 2.0 2xa4 TYR_JAK2-2_HUMAN TYR 1.1e-86 296.3 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 2XA4B O60674 843 1131 1132.0 AZ5:2132 Type1 Inactive DFGin 6.3598 13.939 ABAminus -114.45, -6.24 -145.12, 137.4 -128.21, 30.09 293.01, 86.49 -67.85, -24.85 in-in in 8.6041 Saltbr-in 2.567 HRD-in -74.84, -43.44 74.17, -13.1 in-in-in SNCiii in-in ActLoopNT-in 2.8461 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -56.26, 151.87 APE9-dihe-in -119.66, 134.15 APE8-dihe-in -79.04, 70.15 APE8-rot-na 35.49 APE67-dihe-in -81.02, -6.09 -54.48, -27.27 APE12-dist-na 999.0 APE11-dist-na 10.1957 APE10-dist-na 11.4285 APE9-dist-in 7.6418 K943A,K945A PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.04 0.2 0.245 B 298.0 277.0 12 31 30 1 [[545, 807], [849, 1125]] 2.0 2xa4 TYR_JAK2-2_HUMAN TYR 1.1e-86 296.3 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: AZ5

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% 2XA4A
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 2XA4A O60674 843 1130 1132.0 AZ5:2131 Type1 Inactive DFGin 6.3206 13.8465 ABAminus -121.7, -5.46 -148.03, 137.82 -132.4, 31.72 296.05, 86.79 -68.8, -26.4 in-in in 8.5434 Saltbr-in 2.4863 HRD-in -71.2, -45.88 73.36, -2.24 in-in-none SNCiin in-none ActLoopNT-in 2.7544 ActLoopCT-none TYR APEdihe_niiai APEdist_aaai APE10-dihe-none 999.0, 126.78 APE9-dihe-in -107.35, 156.84 APE8-dihe-in -77.77, 72.68 APE8-rot-na 32.4 APE67-dihe-in -78.43, -2.14 -60.39, -28.3 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 12.5484 APE9-dist-in 7.4007 K943A,K945A PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.04 0.2 0.245 A 298.0 278.0 10 31 27 4 [[545, 807], [849, 1125]] 2.0 2xa4 Homo sapiens TYR_JAK2-2_HUMAN TYR 1.1e-86 296.3 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 2XA4B O60674 843 1131 1132.0 AZ5:2132 Type1 Inactive DFGin 6.3598 13.939 ABAminus -114.45, -6.24 -145.12, 137.4 -128.21, 30.09 293.01, 86.49 -67.85, -24.85 in-in in 8.6041 Saltbr-in 2.567 HRD-in -74.84, -43.44 74.17, -13.1 in-in-in SNCiii in-in ActLoopNT-in 2.8461 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -56.26, 151.87 APE9-dihe-in -119.66, 134.15 APE8-dihe-in -79.04, 70.15 APE8-rot-na 35.49 APE67-dihe-in -81.02, -6.09 -54.48, -27.27 APE12-dist-na 999.0 APE11-dist-na 10.1957 APE10-dist-na 11.4285 APE9-dist-in 7.6418 K943A,K945A PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.04 0.2 0.245 B 298.0 277.0 12 31 30 1 [[545, 807], [849, 1125]] 2.0 2xa4 Homo sapiens TYR_JAK2-2_HUMAN TYR 1.1e-86 296.3 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: AZ5

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