Ligand: XIN (Nintedanib)

Total number of chains: 6
Active chains: 1
Total number of genes: 5
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 66.7% 5TE0A
DFGout BBAminus 1 16.7% 8S15A
DFGout None 1 16.7% 3C7QA
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
CAMK MELK MELK_HUMAN 5MAFA Q14680 2 333 651.0 XIN:60403 Type1.5_Back Inactive DFGin 6.5718 13.907 BLAminus -135.56, 179.58 54.31, 75.2 -95.93, 24.54 296.29, 83.32 -67.92, -21.19 in-in in 8.6899 Saltbr-in 3.0195 HRD-in -58.87, -48.14 62.42, 26.44 in-out-out SNCioo out-out ActLoopNT-out 3.6866 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -32.08 APE8-rot-out 84.93 APE67-dihe-in -58.56, -35.92 -49.67, -38.73 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.8 0.212 0.259 A 347.0 314.0 18 29 15 14 [[11, 263]] 1.0 5maf CAMK_MELK_HUMAN CAMK 1.1e-88 303.0 1.0 256.0 256.0 149 150 151 153 155 40 57 61 129 131 130 132.0 191 178 173 172 171 170 169 168 167 87 Maternal embryonic leucine zipper kinase
OTHER AAK1 AAK1_HUMAN 5TE0A Q2M2I8 27 345 961.0 XIN:60401 Type1 Active DFGin 6.1767 13.7286 BLAminus -133.95, 173.97 66.46, 103.31 -110.15, 22.69 304.86, 94.85 -65.74, -20.86 in-in in 9.0545 Saltbr-in 3.4906 HRD-in -62.42, -46.29 70.69, -4.02 in-in-in SNCiii in-in ActLoopNT-in 2.8421 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -107.12, -11.26 APE9-dihe-na -114.88, 156.03 APE8-dihe-in -99.05, 119.5 APE8-rot-in 300.83 APE67-dihe-in -58.27, -25.82 -45.89, -49.71 APE12-dist-in 12.1407 APE11-dist-in 8.3978 APE10-dist-in 4.1462 APE9-dist-in 3.7311 None None None XRAY 1.9 0.182 0.199 A 347.0 315.0 4 36 36 0 [[46, 313]] 1.0 5te0 OTHER_AAK1_HUMAN OTHER 4.8e-41 147.2 3.0 254.0 252.0 193 194 195 197 199 74 90 94 173 175 174 176.0 244 229 224 223 222 221 220 219 218 127 AP2-associated protein kinase 1
TYR KDR VGFR2_HUMAN 3C7QA P35968 819 1171 1356.0 XIN:1172 Type1 Inactive DFGout 15.7851 9.7942 None -118.96, 138.15 -110.64, 113.79 -73.47, 999.0 192.45, 128.99 999.0, 999.0 in-in in 7.2832 Saltbr-in 2.6084 HRD-in -83.9, -48.68 82.47, -6.86 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_iioai APEdist_aaao APE10-dihe-in -147.17, 145.76 APE9-dihe-in -104.98, 98.81 APE8-dihe-out -50.37, -26.53 APE8-rot-na 330.15 APE67-dihe-in -62.19, -10.0 -56.65, -35.85 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 11.1746 None PTR1054,PTR1059 CME862,CME1007,CME1024,PTR1054,PTR1059 XRAY 2.1 0.221 0.279 A 316.0 291.0 10 30 26 4 [[834, 1162]] 1.0 3c7q TYR_KDR_HUMAN TYR 3.9e-100 340.4 1.0 260.0 260.0 1045 1046 1047 1049 1051 868 885 889 1025 1027 1026 1028.0 1087 1075 1070 1069 1068 1067 1066 1065 1064 917 Vascular endothelial growth factor receptor 2
TYR KIT KIT_HUMAN 8S15A P10721 554 929 976.0 XIN:61001 Type1 Inactive DFGout 15.6355 10.7525 BBAminus -151.54, 167.1 -114.68, 111.91 -64.96, -34.32 269.42, 62.99 55.55, -112.33 in-in in 7.5727 Saltbr-in 2.5839 HRD-in -79.41, -46.95 68.95, -3.61 in-out-in SNCioi out-in ActLoopNT-out 15.7533 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -115.59, 118.15 APE9-dihe-in -124.52, 145.08 APE8-dihe-in -74.65, 73.9 APE8-rot-na 30.34 APE67-dihe-in -67.28, -14.41 -59.06, -44.65 APE12-dist-na 17.8115 APE11-dist-na 15.1147 APE10-dist-na 13.124 APE9-dist-in 7.4588 I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D None None XRAY 2.4 0.222 0.26 A 327.0 295.0 0 30 30 0 [[589, 926]] 1.0 8s15 TYR_KIT_HUMAN TYR 2.3e-104 354.3 1.0 261.0 261.0 809 810 811 813 815 623 640 644 789 791 790 792.0 851 839 834 833 832 831 830 829 828 671 Mast/stem cell growth factor receptor Kit
TYR RET RET_HUMAN 6NECA P07949 713 1012 1114.0 XIN:61101 Type1.5_Back Inactive DFGin 6.9546 14.2179 BLAminus -133.91, -174.29 60.89, 71.58 -95.62, 14.14 281.92, 78.83 -63.28, -30.8 in-in in 7.4452 Saltbr-in 2.7339 HRD-in -64.75, -44.44 74.89, -24.66 in-in-out SNCiio in-out ActLoopNT-in 2.808 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -112.85, 14.06 APE9-dihe-in -80.07, 133.09 APE8-dihe-in -50.98, 131.84 APE8-rot-na 329.18 APE67-dihe-in -66.23, -12.23 -51.13, -39.97 APE12-dist-na 13.539 APE11-dist-na 9.1655 APE10-dist-na 7.4943 APE9-dist-in 5.3838 None None None XRAY 1.87 0.196 0.232 A 314.0 287.0 13 30 30 0 [[724, 1007]] 1.0 6nec TYR_RET_HUMAN TYR 4.1e-101 343.6 1.0 261.0 261.0 891 892 893 895 897 758 775 779 871 873 872 874.0 933 921 916 915 914 913 912 911 910 805 Proto-oncogene tyrosine-protein kinase receptor Ret
TYR RET RET_HUMAN 6NECC P07949 705 1012 1114.0 XIN:61102 Type1.5_Back Inactive DFGin 6.9109 14.5461 BLAminus -127.42, -177.46 57.73, 73.5 -96.06, 13.56 281.45, 72.28 -58.66, -26.62 in-in in 7.651 Saltbr-in 2.6262 HRD-in -74.42, -46.81 83.36, -28.28 in-in-out SNCiio in-out ActLoopNT-in 2.9345 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -111.6, 14.75 APE9-dihe-in -87.1, 131.84 APE8-dihe-in -50.39, 132.72 APE8-rot-na 328.71 APE67-dihe-in -69.0, -12.61 -52.04, -41.84 APE12-dist-na 13.8521 APE11-dist-na 9.5393 APE10-dist-na 7.6385 APE9-dist-in 5.4708 None None None XRAY 1.87 0.196 0.232 C 314.0 279.0 29 30 21 9 [[724, 1007]] 1.0 6nec TYR_RET_HUMAN TYR 4.1e-101 343.6 1.0 261.0 261.0 891 892 893 895 897 758 775 779 871 873 872 874.0 933 921 916 915 914 913 912 911 910 805 Proto-oncogene tyrosine-protein kinase receptor Ret

Ligand: XIN (Nintedanib)

Total number of chains: 6
Active chains: 1
Total number of genes: 5
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 66.7% 5TE0A
DFGout BBAminus 1 16.7% 8S15A
DFGout None 1 16.7% 3C7QA
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
CAMK MELK MELK_HUMAN 5MAFA Q14680 2 333 651.0 XIN:60403 Type1.5_Back Inactive DFGin 6.5718 13.907 BLAminus -135.56, 179.58 54.31, 75.2 -95.93, 24.54 296.29, 83.32 -67.92, -21.19 in-in in 8.6899 Saltbr-in 3.0195 HRD-in -58.87, -48.14 62.42, 26.44 in-out-out SNCioo out-out ActLoopNT-out 3.6866 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -32.08 APE8-rot-out 84.93 APE67-dihe-in -58.56, -35.92 -49.67, -38.73 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.8 0.212 0.259 A 347.0 314.0 18 29 15 14 [[11, 263]] 1.0 5maf Homo sapiens CAMK_MELK_HUMAN CAMK 1.1e-88 303.0 1.0 256.0 256.0 149 150 151 153 155 40 57 61 129 131 130 132.0 191 178 173 172 171 170 169 168 167 87 Maternal embryonic leucine zipper kinase
OTHER AAK1 AAK1_HUMAN 5TE0A Q2M2I8 27 345 961.0 XIN:60401 Type1 Active DFGin 6.1767 13.7286 BLAminus -133.95, 173.97 66.46, 103.31 -110.15, 22.69 304.86, 94.85 -65.74, -20.86 in-in in 9.0545 Saltbr-in 3.4906 HRD-in -62.42, -46.29 70.69, -4.02 in-in-in SNCiii in-in ActLoopNT-in 2.8421 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -107.12, -11.26 APE9-dihe-na -114.88, 156.03 APE8-dihe-in -99.05, 119.5 APE8-rot-in 300.83 APE67-dihe-in -58.27, -25.82 -45.89, -49.71 APE12-dist-in 12.1407 APE11-dist-in 8.3978 APE10-dist-in 4.1462 APE9-dist-in 3.7311 None None None XRAY 1.9 0.182 0.199 A 347.0 315.0 4 36 36 0 [[46, 313]] 1.0 5te0 Homo sapiens OTHER_AAK1_HUMAN OTHER 4.8e-41 147.2 3.0 254.0 252.0 193 194 195 197 199 74 90 94 173 175 174 176.0 244 229 224 223 222 221 220 219 218 127 AP2-associated protein kinase 1
TYR KDR VGFR2_HUMAN 3C7QA P35968 819 1171 1356.0 XIN:1172 Type1 Inactive DFGout 15.7851 9.7942 None -118.96, 138.15 -110.64, 113.79 -73.47, 999.0 192.45, 128.99 999.0, 999.0 in-in in 7.2832 Saltbr-in 2.6084 HRD-in -83.9, -48.68 82.47, -6.86 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_iioai APEdist_aaao APE10-dihe-in -147.17, 145.76 APE9-dihe-in -104.98, 98.81 APE8-dihe-out -50.37, -26.53 APE8-rot-na 330.15 APE67-dihe-in -62.19, -10.0 -56.65, -35.85 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 11.1746 None PTR1054,PTR1059 CME862,CME1007,CME1024,PTR1054,PTR1059 XRAY 2.1 0.221 0.279 A 316.0 291.0 10 30 26 4 [[834, 1162]] 1.0 3c7q Homo sapiens TYR_KDR_HUMAN TYR 3.9e-100 340.4 1.0 260.0 260.0 1045 1046 1047 1049 1051 868 885 889 1025 1027 1026 1028.0 1087 1075 1070 1069 1068 1067 1066 1065 1064 917 Vascular endothelial growth factor receptor 2
TYR KIT KIT_HUMAN 8S15A P10721 554 929 976.0 XIN:61001 Type1 Inactive DFGout 15.6355 10.7525 BBAminus -151.54, 167.1 -114.68, 111.91 -64.96, -34.32 269.42, 62.99 55.55, -112.33 in-in in 7.5727 Saltbr-in 2.5839 HRD-in -79.41, -46.95 68.95, -3.61 in-out-in SNCioi out-in ActLoopNT-out 15.7533 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -115.59, 118.15 APE9-dihe-in -124.52, 145.08 APE8-dihe-in -74.65, 73.9 APE8-rot-na 30.34 APE67-dihe-in -67.28, -14.41 -59.06, -44.65 APE12-dist-na 17.8115 APE11-dist-na 15.1147 APE10-dist-na 13.124 APE9-dist-in 7.4588 I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D None None XRAY 2.4 0.222 0.26 A 327.0 295.0 0 30 30 0 [[589, 926]] 1.0 8s15 Homo sapiens TYR_KIT_HUMAN TYR 2.3e-104 354.3 1.0 261.0 261.0 809 810 811 813 815 623 640 644 789 791 790 792.0 851 839 834 833 832 831 830 829 828 671 Mast/stem cell growth factor receptor Kit
TYR RET RET_HUMAN 6NECA P07949 713 1012 1114.0 XIN:61101 Type1.5_Back Inactive DFGin 6.9546 14.2179 BLAminus -133.91, -174.29 60.89, 71.58 -95.62, 14.14 281.92, 78.83 -63.28, -30.8 in-in in 7.4452 Saltbr-in 2.7339 HRD-in -64.75, -44.44 74.89, -24.66 in-in-out SNCiio in-out ActLoopNT-in 2.808 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -112.85, 14.06 APE9-dihe-in -80.07, 133.09 APE8-dihe-in -50.98, 131.84 APE8-rot-na 329.18 APE67-dihe-in -66.23, -12.23 -51.13, -39.97 APE12-dist-na 13.539 APE11-dist-na 9.1655 APE10-dist-na 7.4943 APE9-dist-in 5.3838 None None None XRAY 1.87 0.196 0.232 A 314.0 287.0 13 30 30 0 [[724, 1007]] 1.0 6nec Homo sapiens TYR_RET_HUMAN TYR 4.1e-101 343.6 1.0 261.0 261.0 891 892 893 895 897 758 775 779 871 873 872 874.0 933 921 916 915 914 913 912 911 910 805 Proto-oncogene tyrosine-protein kinase receptor Ret
TYR RET RET_HUMAN 6NECC P07949 705 1012 1114.0 XIN:61102 Type1.5_Back Inactive DFGin 6.9109 14.5461 BLAminus -127.42, -177.46 57.73, 73.5 -96.06, 13.56 281.45, 72.28 -58.66, -26.62 in-in in 7.651 Saltbr-in 2.6262 HRD-in -74.42, -46.81 83.36, -28.28 in-in-out SNCiio in-out ActLoopNT-in 2.9345 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -111.6, 14.75 APE9-dihe-in -87.1, 131.84 APE8-dihe-in -50.39, 132.72 APE8-rot-na 328.71 APE67-dihe-in -69.0, -12.61 -52.04, -41.84 APE12-dist-na 13.8521 APE11-dist-na 9.5393 APE10-dist-na 7.6385 APE9-dist-in 5.4708 None None None XRAY 1.87 0.196 0.232 C 314.0 279.0 29 30 21 9 [[724, 1007]] 1.0 6nec Homo sapiens TYR_RET_HUMAN TYR 4.1e-101 343.6 1.0 261.0 261.0 891 892 893 895 897 758 775 779 871 873 872 874.0 933 921 916 915 914 913 912 911 910 805 Proto-oncogene tyrosine-protein kinase receptor Ret

Ligand: XIN (Nintedanib)

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