Ligand: 046

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 100.0% 3UGCA
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 7RN6A O60674 839 1130 1132.0 046:61201 Type2 Inactive DFGout 14.8486 10.0324 BBAminus -142.9, -161.3 -155.9, 101.54 -56.95, -47.21 271.11, 99.06 62.67, 34.57 in-in in 8.4001 Saltbr-in 2.8533 HRD-in -71.23, -54.0 79.2, -32.78 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nioai APEdist_aaao APE10-dihe-none 999.0, 23.78 APE9-dihe-in -68.64, 133.62 APE8-dihe-out -69.28, -14.0 APE8-rot-na 30.51 APE67-dihe-in -77.29, 3.35 -60.18, -24.91 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 11.9969 APE9-dist-out 11.0234 None PTR1007 PTR1007 XRAY 1.5 0.19 0.214 A 298.0 270.0 22 31 15 16 [[545, 807], [849, 1125]] 2.0 7rn6 TYR_JAK2-2_HUMAN TYR 2.6e-87 298.4 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 3UGCA O60674 843 1129 1132.0 046:1201 Type2 Inactive DFGout 15.0409 10.3827 BBAminus -140.53, -160.06 -162.81, 97.88 -51.65, -50.95 277.97, 90.44 63.84, 37.94 in-in in 8.3976 Saltbr-in 2.7781 HRD-in -68.11, -58.01 83.55, -37.27 in-out-out SNCioo out-out ActLoopNT-out 14.9794 ActLoopCT-out TYR APEdihe_oioai APEdist_aaao APE10-dihe-out -100.96, -0.55 APE9-dihe-in -75.25, 134.38 APE8-dihe-out -78.02, -9.14 APE8-rot-na 29.56 APE67-dihe-in -74.84, -0.63 -60.59, -24.73 APE12-dist-na 19.0392 APE11-dist-na 16.3848 APE10-dist-na 12.0217 APE9-dist-out 11.1883 Y1007F,Y1008F None None XRAY 1.34 0.177 0.189 A 295.0 274.0 13 31 18 13 [[545, 807], [849, 1125]] 2.0 3ugc TYR_JAK2-2_HUMAN TYR 4.6e-86 294.3 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: 046

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 66.7% 3UGCA
DFGout None 1 33.3% 4O2ZA
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 7RN6A O60674 839 1130 1132.0 046:61201 Type2 Inactive DFGout 14.8486 10.0324 BBAminus -142.9, -161.3 -155.9, 101.54 -56.95, -47.21 271.11, 99.06 62.67, 34.57 in-in in 8.4001 Saltbr-in 2.8533 HRD-in -71.23, -54.0 79.2, -32.78 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nioai APEdist_aaao APE10-dihe-none 999.0, 23.78 APE9-dihe-in -68.64, 133.62 APE8-dihe-out -69.28, -14.0 APE8-rot-na 30.51 APE67-dihe-in -77.29, 3.35 -60.18, -24.91 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 11.9969 APE9-dist-out 11.0234 None PTR1007 PTR1007 XRAY 1.5 0.19 0.214 A 298.0 270.0 22 31 15 16 [[545, 807], [849, 1125]] 2.0 7rn6 Homo sapiens TYR_JAK2-2_HUMAN TYR 2.6e-87 298.4 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 3UGCA O60674 843 1129 1132.0 046:1201 Type2 Inactive DFGout 15.0409 10.3827 BBAminus -140.53, -160.06 -162.81, 97.88 -51.65, -50.95 277.97, 90.44 63.84, 37.94 in-in in 8.3976 Saltbr-in 2.7781 HRD-in -68.11, -58.01 83.55, -37.27 in-out-out SNCioo out-out ActLoopNT-out 14.9794 ActLoopCT-out TYR APEdihe_oioai APEdist_aaao APE10-dihe-out -100.96, -0.55 APE9-dihe-in -75.25, 134.38 APE8-dihe-out -78.02, -9.14 APE8-rot-na 29.56 APE67-dihe-in -74.84, -0.63 -60.59, -24.73 APE12-dist-na 19.0392 APE11-dist-na 16.3848 APE10-dist-na 12.0217 APE9-dist-out 11.1883 Y1007F,Y1008F None None XRAY 1.34 0.177 0.189 A 295.0 274.0 13 31 18 13 [[545, 807], [849, 1125]] 2.0 3ugc Homo sapiens TYR_JAK2-2_HUMAN TYR 4.6e-86 294.3 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
CMGC MPK3 A0A3S7WR45_LEIDO 4O2ZA A0A3S7WR45 5 363 388.0 046:60401 Type2 Inactive DFGout 15.921 8.1549 None -134.08, -174.11 -155.91, 82.41 -60.55, -57.51 203.74, 49.61 68.57, 17.04 in-in in 9.7483 Saltbr-in 3.2813 HRD-in -68.98, -48.47 62.72, -16.42 in-out-out SNCioo out-out ActLoopNT-out 21.947 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oioo APE10-dihe-na -71.03, -43.99 APE9-dihe-na -71.76, -41.27 APE8-dihe-out -61.04, -34.16 APE8-rot-in 308.77 APE67-dihe-in -66.68, -15.18 -59.27, -31.09 APE12-dist-out 6.8762 APE11-dist-in 12.0481 APE10-dist-out 13.6495 APE9-dist-out 10.3113 None None None XRAY 2.71 0.242 0.266 A 377.0 357.0 2 28 26 2 [[33, 320]] 1.0 4o2z Leishmania donovani CMGC_MPK3_LEIDO CMGC 3.6e-68 236.7 1.0 301.0 301.0 178 179 180 182 184 62 80 84 158 160 159 161.0 219 206 201 200 199 198 197 196 195 117 Mitogen-activated protein kinase

Ligand: 046

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout None 1 100.0% 4O2ZA
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
CMGC MPK3 A0A3S7WR45_LEIDO 4O2ZA A0A3S7WR45 5 363 388.0 046:60401 Type2 Inactive DFGout 15.921 8.1549 None -134.08, -174.11 -155.91, 82.41 -60.55, -57.51 203.74, 49.61 68.57, 17.04 in-in in 9.7483 Saltbr-in 3.2813 HRD-in -68.98, -48.47 62.72, -16.42 in-out-out SNCioo out-out ActLoopNT-out 21.947 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oioo APE10-dihe-na -71.03, -43.99 APE9-dihe-na -71.76, -41.27 APE8-dihe-out -61.04, -34.16 APE8-rot-in 308.77 APE67-dihe-in -66.68, -15.18 -59.27, -31.09 APE12-dist-out 6.8762 APE11-dist-in 12.0481 APE10-dist-out 13.6495 APE9-dist-out 10.3113 None None None XRAY 2.71 0.242 0.266 A 377.0 357.0 2 28 26 2 [[33, 320]] 1.0 4o2z Leishmania donovani CMGC_MPK3_LEIDO CMGC 3.6e-68 236.7 1.0 301.0 301.0 178 179 180 182 184 62 80 84 158 160 159 161.0 219 206 201 200 199 198 197 196 195 117 Mitogen-activated protein kinase