Ligand: LMM

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% 4C61A
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 4C61A O60674 844 1130 1132.0 LMM:2133 Type1 Inactive DFGin 6.5324 13.992 ABAminus -100.5, -7.49 -142.5, 135.85 -127.75, 28.69 291.26, 86.96 -61.78, -31.29 in-in in 8.4601 Saltbr-in 2.7485 HRD-in -61.21, -51.25 72.4, -7.24 in-in-none SNCiin in-none ActLoopNT-in 2.7232 ActLoopCT-none TYR APEdihe_niiai APEdist_aaai APE10-dihe-none 999.0, 116.09 APE9-dihe-in -128.96, 149.61 APE8-dihe-in -80.23, 71.12 APE8-rot-na 29.74 APE67-dihe-in -78.54, -3.02 -52.78, -33.19 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 11.7072 APE9-dist-in 7.4975 K943A,K945A PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.45 0.182 0.217 A 298.0 274.0 13 31 27 4 [[545, 807], [849, 1125]] 2.0 4c61 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 4C61B O60674 843 1131 1132.0 LMM:3134 Type1 Inactive DFGin 6.5871 13.9637 ABAminus -99.29, -7.41 -144.35, 135.64 -128.8, 28.74 291.58, 87.68 -61.03, -31.63 in-in in 8.4255 Saltbr-in 2.7335 HRD-in -61.64, -51.8 71.18, -7.39 in-in-in SNCiii in-in ActLoopNT-in 2.7175 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -74.27, 116.76 APE9-dihe-in -129.15, 144.96 APE8-dihe-in -79.41, 70.56 APE8-rot-na 30.9 APE67-dihe-in -79.29, -3.33 -51.49, -32.42 APE12-dist-na 10.4954 APE11-dist-na 11.9096 APE10-dist-na 11.2062 APE9-dist-in 7.5235 K943A,K945A PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.45 0.182 0.217 B 298.0 276.0 13 31 31 0 [[545, 807], [849, 1125]] 2.0 4c61 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: LMM

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% 4C61A
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 4C61A O60674 844 1130 1132.0 LMM:2133 Type1 Inactive DFGin 6.5324 13.992 ABAminus -100.5, -7.49 -142.5, 135.85 -127.75, 28.69 291.26, 86.96 -61.78, -31.29 in-in in 8.4601 Saltbr-in 2.7485 HRD-in -61.21, -51.25 72.4, -7.24 in-in-none SNCiin in-none ActLoopNT-in 2.7232 ActLoopCT-none TYR APEdihe_niiai APEdist_aaai APE10-dihe-none 999.0, 116.09 APE9-dihe-in -128.96, 149.61 APE8-dihe-in -80.23, 71.12 APE8-rot-na 29.74 APE67-dihe-in -78.54, -3.02 -52.78, -33.19 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 11.7072 APE9-dist-in 7.4975 K943A,K945A PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.45 0.182 0.217 A 298.0 274.0 13 31 27 4 [[545, 807], [849, 1125]] 2.0 4c61 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 4C61B O60674 843 1131 1132.0 LMM:3134 Type1 Inactive DFGin 6.5871 13.9637 ABAminus -99.29, -7.41 -144.35, 135.64 -128.8, 28.74 291.58, 87.68 -61.03, -31.63 in-in in 8.4255 Saltbr-in 2.7335 HRD-in -61.64, -51.8 71.18, -7.39 in-in-in SNCiii in-in ActLoopNT-in 2.7175 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -74.27, 116.76 APE9-dihe-in -129.15, 144.96 APE8-dihe-in -79.41, 70.56 APE8-rot-na 30.9 APE67-dihe-in -79.29, -3.33 -51.49, -32.42 APE12-dist-na 10.4954 APE11-dist-na 11.9096 APE10-dist-na 11.2062 APE9-dist-in 7.5235 K943A,K945A PTR1007,PTR1008 PTR1007,PTR1008 XRAY 2.45 0.182 0.217 B 298.0 276.0 13 31 31 0 [[545, 807], [849, 1125]] 2.0 4c61 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: LMM

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