Ligand: XWW

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% 4C62A
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 4C62A O60674 844 1130 1132.0 XWW:2133 Type1 Inactive DFGin 6.5287 13.8979 ABAminus -113.05, -0.79 -150.5, 138.69 -131.28, 30.16 295.66, 95.47 -70.5, -17.57 in-in in 8.5293 Saltbr-in 2.745 HRD-in -77.66, -50.29 78.32, -7.51 in-in-none SNCiin in-none ActLoopNT-in 2.7596 ActLoopCT-none TYR APEdihe_niiai APEdist_aaai APE10-dihe-none 999.0, 124.25 APE9-dihe-in -114.5, 154.43 APE8-dihe-in -78.75, 69.66 APE8-rot-na 32.02 APE67-dihe-in -77.58, -7.44 -57.08, -29.63 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 12.3163 APE9-dist-in 7.4383 K943A,K945A PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.75 0.199 0.246 A 298.0 275.0 12 31 27 4 [[545, 807], [849, 1125]] 2.0 4c62 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 4C62B O60674 843 1131 1132.0 XWW:2135 Type1 Inactive DFGin 6.4846 13.8939 ABAminus -114.61, 4.06 -154.86, 137.03 -130.79, 31.93 295.01, 94.29 -69.55, -19.77 in-in in 8.5534 Saltbr-in 2.8231 HRD-in -79.26, -45.4 75.54, -12.71 in-in-in SNCiii in-in ActLoopNT-in 2.7713 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -104.27, 116.68 APE9-dihe-in -110.1, 148.45 APE8-dihe-in -73.84, 72.01 APE8-rot-na 31.1 APE67-dihe-in -81.36, -4.7 -56.44, -28.7 APE12-dist-na 12.2314 APE11-dist-na 11.2596 APE10-dist-na 12.2087 APE9-dist-in 7.4917 K943A,K945A PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.75 0.199 0.246 B 298.0 273.0 16 31 31 0 [[545, 807], [849, 1125]] 2.0 4c62 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: XWW

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% 4C62A
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 4C62A O60674 844 1130 1132.0 XWW:2133 Type1 Inactive DFGin 6.5287 13.8979 ABAminus -113.05, -0.79 -150.5, 138.69 -131.28, 30.16 295.66, 95.47 -70.5, -17.57 in-in in 8.5293 Saltbr-in 2.745 HRD-in -77.66, -50.29 78.32, -7.51 in-in-none SNCiin in-none ActLoopNT-in 2.7596 ActLoopCT-none TYR APEdihe_niiai APEdist_aaai APE10-dihe-none 999.0, 124.25 APE9-dihe-in -114.5, 154.43 APE8-dihe-in -78.75, 69.66 APE8-rot-na 32.02 APE67-dihe-in -77.58, -7.44 -57.08, -29.63 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 12.3163 APE9-dist-in 7.4383 K943A,K945A PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.75 0.199 0.246 A 298.0 275.0 12 31 27 4 [[545, 807], [849, 1125]] 2.0 4c62 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 4C62B O60674 843 1131 1132.0 XWW:2135 Type1 Inactive DFGin 6.4846 13.8939 ABAminus -114.61, 4.06 -154.86, 137.03 -130.79, 31.93 295.01, 94.29 -69.55, -19.77 in-in in 8.5534 Saltbr-in 2.8231 HRD-in -79.26, -45.4 75.54, -12.71 in-in-in SNCiii in-in ActLoopNT-in 2.7713 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -104.27, 116.68 APE9-dihe-in -110.1, 148.45 APE8-dihe-in -73.84, 72.01 APE8-rot-na 31.1 APE67-dihe-in -81.36, -4.7 -56.44, -28.7 APE12-dist-na 12.2314 APE11-dist-na 11.2596 APE10-dist-na 12.2087 APE9-dist-in 7.4917 K943A,K945A PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.75 0.199 0.246 B 298.0 273.0 16 31 31 0 [[545, 807], [849, 1125]] 2.0 4c62 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: XWW

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