Ligand: VGH (Crizotinib, Xalkori)

Total number of chains: 9
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 8 88.9% 5AAAA
DFGin BLBplus 1 11.1% 2WGJA
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 ALK ALK_HUMAN 4ANSA Q9UM73 1093 1402 1620.0 VGH:9000 Type1 Inactive DFGin 6.248 15.162 ABAminus -128.23, -41.44 -98.11, 120.9 -117.53, 30.59 287.81, 85.26 -66.49, -38.26 in-out in 8.265 Saltbr-out 4.892 HRD-in -72.85, -44.3 78.64, -9.03 out-out-out SNCooo out-out ActLoopNT-out 6.908 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -99.15, -7.92 APE9-dihe-in -66.26, 134.84 APE8-dihe-in -77.14, 60.8 APE8-rot-na 30.33 APE67-dihe-in -70.27, -10.51 -58.92, -29.59 APE12-dist-na 14.661 APE11-dist-na 14.883 APE10-dist-na 9.857 APE9-dist-out 8.039 L1196M,G1269A None None XRAY 1.85 0.201 0.231 A 342 294 16 0 0 6 [[1116, 1385]] 1.0 4ans TYR_ALK_HUMAN TYR 5.2e-91 310.5 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 2YFXA Q9UM73 1093 1401 1620.0 VGH:9000 Type1 Inactive DFGin 6.221 14.881 ABAminus -122.22, -28.6 -114.9, 132.72 -127.11, 33.52 293.03, 85.04 -65.89, -37.73 in-out in 7.914 Saltbr-out 4.75 HRD-in -73.95, -43.63 78.32, -9.23 out-out-out SNCooo out-out ActLoopNT-out 6.956 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -100.12, -9.34 APE9-dihe-in -61.51, 137.47 APE8-dihe-in -77.72, 57.54 APE8-rot-na 29.78 APE67-dihe-in -70.24, -8.94 -56.4, -32.44 APE12-dist-na 14.505 APE11-dist-na 14.933 APE10-dist-na 9.92 APE9-dist-out 8.05 L1196M None None XRAY 1.7 0.208 0.234 A 327 293 16 0 0 6 [[1116, 1385]] 1.0 2yfx TYR_ALK_HUMAN TYR 5.1e-91 310.5 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 4ANQA Q9UM73 1093 1402 1620.0 VGH:9000 Type1 Inactive DFGin 6.209 14.974 ABAminus -128.3, -36.39 -101.79, 127.42 -123.56, 31.99 288.31, 85.14 -69.12, -35.87 in-out in 8.27 Saltbr-out 4.789 HRD-in -73.02, -46.15 80.91, -7.4 out-out-out SNCooo out-out ActLoopNT-out 6.947 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -98.41, -8.07 APE9-dihe-in -67.75, 134.94 APE8-dihe-in -74.89, 59.28 APE8-rot-na 29.64 APE67-dihe-in -70.46, -10.96 -58.56, -29.68 APE12-dist-na 14.724 APE11-dist-na 14.955 APE10-dist-na 9.922 APE9-dist-out 8.019 G1269A None None XRAY 1.76 0.201 0.217 A 342 294 16 0 0 6 [[1116, 1385]] 1.0 4anq TYR_ALK_HUMAN TYR 1.4e-90 309.1 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 5AAAA Q9UM73 1093 1401 1620.0 VGH:9000 Type1 Inactive DFGin 6.209 14.916 ABAminus -119.08, -27.29 -116.14, 136.82 -130.64, 32.52 289.46, 85.69 -67.72, -37.15 in-out in 7.969 Saltbr-out 4.67 HRD-in -74.4, -45.03 79.43, -9.27 out-out-out SNCooo out-out ActLoopNT-out 6.898 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -99.98, -3.96 APE9-dihe-in -73.12, 136.6 APE8-dihe-in -77.4, 61.62 APE8-rot-na 28.9 APE67-dihe-in -71.26, -10.51 -60.21, -28.6 APE12-dist-na 14.555 APE11-dist-na 14.849 APE10-dist-na 9.8 APE9-dist-out 8.03 L1198F None None XRAY 1.73 0.201 0.206 A 327 295 14 0 0 6 [[1116, 1385]] 1.0 5aaa TYR_ALK_HUMAN TYR 4.4e-91 310.7 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 5AABA Q9UM73 1093 1402 1620.0 VGH:9000 Type1 Inactive DFGin 5.962 14.941 ABAminus -122.06, -28.4 -115.22, 132.25 -127.31, 26.85 289.37, 81.1 -65.12, -33.9 in-out in 8.083 Saltbr-out 4.27 HRD-in -73.35, -48.11 83.65, -8.17 out-out-out SNCooo out-out ActLoopNT-out 6.963 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -103.88, -2.64 APE9-dihe-in -78.59, 133.38 APE8-dihe-in -74.05, 62.22 APE8-rot-na 30.08 APE67-dihe-in -71.71, -12.93 -64.03, -23.79 APE12-dist-na 15.1 APE11-dist-na 15.205 APE10-dist-na 10.087 APE9-dist-out 8.086 C1156Y,L1198F None None XRAY 2.2 0.211 0.246 A 327 294 16 0 0 6 [[1116, 1385]] 1.0 5aab TYR_ALK_HUMAN TYR 5.9e-91 310.3 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 2XP2A Q9UM73 1093 1401 1620.0 VGH:9000 Type1 Inactive DFGin 6.01 14.853 ABAminus -116.89, -30.31 -113.6, 135.35 -129.42, 33.32 290.86, 85.52 -68.93, -36.66 in-out in 8.312 Saltbr-out 4.843 HRD-in -70.6, -46.14 82.26, -7.39 out-out-out SNCooo out-out ActLoopNT-out 6.785 ActLoopCT-out TYR APEdihe_niiai APEdist_aaao APE10-dihe-none 999.0, -14.78 APE9-dihe-in -71.8, 131.97 APE8-dihe-in -75.49, 62.54 APE8-rot-na 30.87 APE67-dihe-in -72.66, -13.49 -62.38, -23.13 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 10.148 APE9-dist-out 8.257 None None None XRAY 1.9 0.207 0.252 A 327 289 20 0 0 9 [[1116, 1385]] 1.0 2xp2 TYR_ALK_HUMAN TYR 1.4e-90 309.1 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 5AACA Q9UM73 1093 1402 1620.0 VGH:9000 Type1 Inactive DFGin 6.049 14.948 ABAminus -115.19, -31.77 -111.83, 134.22 -128.43, 30.25 290.07, 81.16 -65.53, -32.88 in-out in 8.27 Saltbr-out 4.608 HRD-in -73.86, -46.4 82.42, -9.17 out-out-out SNCooo out-out ActLoopNT-out 6.925 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -100.47, -8.93 APE9-dihe-in -64.75, 135.46 APE8-dihe-in -76.69, 59.35 APE8-rot-na 30.37 APE67-dihe-in -71.48, -11.11 -59.44, -28.8 APE12-dist-na 14.745 APE11-dist-na 15.323 APE10-dist-na 10.293 APE9-dist-out 8.192 C1156Y None None XRAY 1.7 0.208 0.232 A 327 293 17 0 0 6 [[1116, 1385]] 1.0 5aac TYR_ALK_HUMAN TYR 1.9e-90 308.6 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR MET MET_HUMAN 2WGJA P08581 1052 1345 1390.0 VGH:2346 Type1 Inactive DFGin 5.419 14.21 BLBplus -135.65, -156.26 47.26, 45.25 -135.61, 161.65 71.89, 90.85 65.05, -128.27 out-out out 14.431 Saltbr-out 12.345 HRD-in -73.92, -55.59 85.56, -13.18 out-out-in SNCooi out-in ActLoopNT-out 10.89 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -55.61, 121.54 APE9-dihe-in -139.09, 151.01 APE8-dihe-in -79.04, 70.35 APE8-rot-na 28.98 APE67-dihe-in -76.22, -0.44 -56.63, -35.75 APE12-dist-na 22.704 APE11-dist-na 17.972 APE10-dist-na 17.34 APE9-dist-in 7.149 None None None XRAY 2.0 0.215 0.232 A 306 290 4 0 0 0 [[1078, 1339]] 1.0 2wgj TYR_MET_HUMAN TYR 6.7e-92 313.6 2 260 259 1221 1222 1223 1225 1227 1110 1127 1131 1201 1203 1202 1204 1265 1253 1248 1247 1246 1245 1244 1243 1242 1158 Hepatocyte growth factor receptor
TYR ROS1 ROS1_HUMAN 3ZBFA P08922 1934 2230 2347.0 VGH:3000 Type1 Inactive DFGin 6.553 14.56 ABAminus -129.17, -37.91 -114.96, 123.49 -118.51, 31.51 297.44, 69.18 -62.83, -16.28 in-in in 8.506 Saltbr-in 3.499 HRD-in -86.85, -45.31 73.51, 7.34 in-in-out SNCiio in-out ActLoopNT-in 2.938 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -30.1 APE8-dihe-in -94.83, 74.5 APE8-rot-na 33.93 APE67-dihe-in -65.41, -17.17 -63.88, -31.54 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 10.1 None None None XRAY 2.2 0.236 0.282 A 322 282 15 0 0 12 [[1945, 2217]] 1.0 3zbf TYR_ROS1_HUMAN TYR 5.4e-95 323.5 3 260 258 2101 2102 2103 2105 2107 1980 1997 2001 2076 2078 2077 2079 2143 2131 2126 2125 2124 2123 2122 2121 2120 2027 Proto-oncogene tyrosine-protein kinase ROS

Ligand: VGH (Crizotinib, Xalkori)

Total number of chains: 9
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 8 88.9% 5AAAA
DFGin BLBplus 1 11.1% 2WGJA
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 ALK ALK_HUMAN 4ANSA Q9UM73 1093 1402 1620.0 VGH:9000 Type1 Inactive DFGin 6.248 15.162 ABAminus -128.23, -41.44 -98.11, 120.9 -117.53, 30.59 287.81, 85.26 -66.49, -38.26 in-out in 8.265 Saltbr-out 4.892 HRD-in -72.85, -44.3 78.64, -9.03 out-out-out SNCooo out-out ActLoopNT-out 6.908 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -99.15, -7.92 APE9-dihe-in -66.26, 134.84 APE8-dihe-in -77.14, 60.8 APE8-rot-na 30.33 APE67-dihe-in -70.27, -10.51 -58.92, -29.59 APE12-dist-na 14.661 APE11-dist-na 14.883 APE10-dist-na 9.857 APE9-dist-out 8.039 L1196M,G1269A None None XRAY 1.85 0.201 0.231 A 342 294 16 0 0 6 [[1116, 1385]] 1.0 4ans Homo sapiens TYR_ALK_HUMAN TYR 5.2e-91 310.5 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 2YFXA Q9UM73 1093 1401 1620.0 VGH:9000 Type1 Inactive DFGin 6.221 14.881 ABAminus -122.22, -28.6 -114.9, 132.72 -127.11, 33.52 293.03, 85.04 -65.89, -37.73 in-out in 7.914 Saltbr-out 4.75 HRD-in -73.95, -43.63 78.32, -9.23 out-out-out SNCooo out-out ActLoopNT-out 6.956 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -100.12, -9.34 APE9-dihe-in -61.51, 137.47 APE8-dihe-in -77.72, 57.54 APE8-rot-na 29.78 APE67-dihe-in -70.24, -8.94 -56.4, -32.44 APE12-dist-na 14.505 APE11-dist-na 14.933 APE10-dist-na 9.92 APE9-dist-out 8.05 L1196M None None XRAY 1.7 0.208 0.234 A 327 293 16 0 0 6 [[1116, 1385]] 1.0 2yfx Homo sapiens TYR_ALK_HUMAN TYR 5.1e-91 310.5 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 4ANQA Q9UM73 1093 1402 1620.0 VGH:9000 Type1 Inactive DFGin 6.209 14.974 ABAminus -128.3, -36.39 -101.79, 127.42 -123.56, 31.99 288.31, 85.14 -69.12, -35.87 in-out in 8.27 Saltbr-out 4.789 HRD-in -73.02, -46.15 80.91, -7.4 out-out-out SNCooo out-out ActLoopNT-out 6.947 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -98.41, -8.07 APE9-dihe-in -67.75, 134.94 APE8-dihe-in -74.89, 59.28 APE8-rot-na 29.64 APE67-dihe-in -70.46, -10.96 -58.56, -29.68 APE12-dist-na 14.724 APE11-dist-na 14.955 APE10-dist-na 9.922 APE9-dist-out 8.019 G1269A None None XRAY 1.76 0.201 0.217 A 342 294 16 0 0 6 [[1116, 1385]] 1.0 4anq Homo sapiens TYR_ALK_HUMAN TYR 1.4e-90 309.1 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 5AAAA Q9UM73 1093 1401 1620.0 VGH:9000 Type1 Inactive DFGin 6.209 14.916 ABAminus -119.08, -27.29 -116.14, 136.82 -130.64, 32.52 289.46, 85.69 -67.72, -37.15 in-out in 7.969 Saltbr-out 4.67 HRD-in -74.4, -45.03 79.43, -9.27 out-out-out SNCooo out-out ActLoopNT-out 6.898 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -99.98, -3.96 APE9-dihe-in -73.12, 136.6 APE8-dihe-in -77.4, 61.62 APE8-rot-na 28.9 APE67-dihe-in -71.26, -10.51 -60.21, -28.6 APE12-dist-na 14.555 APE11-dist-na 14.849 APE10-dist-na 9.8 APE9-dist-out 8.03 L1198F None None XRAY 1.73 0.201 0.206 A 327 295 14 0 0 6 [[1116, 1385]] 1.0 5aaa Homo sapiens TYR_ALK_HUMAN TYR 4.4e-91 310.7 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 5AABA Q9UM73 1093 1402 1620.0 VGH:9000 Type1 Inactive DFGin 5.962 14.941 ABAminus -122.06, -28.4 -115.22, 132.25 -127.31, 26.85 289.37, 81.1 -65.12, -33.9 in-out in 8.083 Saltbr-out 4.27 HRD-in -73.35, -48.11 83.65, -8.17 out-out-out SNCooo out-out ActLoopNT-out 6.963 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -103.88, -2.64 APE9-dihe-in -78.59, 133.38 APE8-dihe-in -74.05, 62.22 APE8-rot-na 30.08 APE67-dihe-in -71.71, -12.93 -64.03, -23.79 APE12-dist-na 15.1 APE11-dist-na 15.205 APE10-dist-na 10.087 APE9-dist-out 8.086 C1156Y,L1198F None None XRAY 2.2 0.211 0.246 A 327 294 16 0 0 6 [[1116, 1385]] 1.0 5aab Homo sapiens TYR_ALK_HUMAN TYR 5.9e-91 310.3 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 2XP2A Q9UM73 1093 1401 1620.0 VGH:9000 Type1 Inactive DFGin 6.01 14.853 ABAminus -116.89, -30.31 -113.6, 135.35 -129.42, 33.32 290.86, 85.52 -68.93, -36.66 in-out in 8.312 Saltbr-out 4.843 HRD-in -70.6, -46.14 82.26, -7.39 out-out-out SNCooo out-out ActLoopNT-out 6.785 ActLoopCT-out TYR APEdihe_niiai APEdist_aaao APE10-dihe-none 999.0, -14.78 APE9-dihe-in -71.8, 131.97 APE8-dihe-in -75.49, 62.54 APE8-rot-na 30.87 APE67-dihe-in -72.66, -13.49 -62.38, -23.13 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 10.148 APE9-dist-out 8.257 None None None XRAY 1.9 0.207 0.252 A 327 289 20 0 0 9 [[1116, 1385]] 1.0 2xp2 Homo sapiens TYR_ALK_HUMAN TYR 1.4e-90 309.1 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 5AACA Q9UM73 1093 1402 1620.0 VGH:9000 Type1 Inactive DFGin 6.049 14.948 ABAminus -115.19, -31.77 -111.83, 134.22 -128.43, 30.25 290.07, 81.16 -65.53, -32.88 in-out in 8.27 Saltbr-out 4.608 HRD-in -73.86, -46.4 82.42, -9.17 out-out-out SNCooo out-out ActLoopNT-out 6.925 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -100.47, -8.93 APE9-dihe-in -64.75, 135.46 APE8-dihe-in -76.69, 59.35 APE8-rot-na 30.37 APE67-dihe-in -71.48, -11.11 -59.44, -28.8 APE12-dist-na 14.745 APE11-dist-na 15.323 APE10-dist-na 10.293 APE9-dist-out 8.192 C1156Y None None XRAY 1.7 0.208 0.232 A 327 293 17 0 0 6 [[1116, 1385]] 1.0 5aac Homo sapiens TYR_ALK_HUMAN TYR 1.9e-90 308.6 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR MET MET_HUMAN 2WGJA P08581 1052 1345 1390.0 VGH:2346 Type1 Inactive DFGin 5.419 14.21 BLBplus -135.65, -156.26 47.26, 45.25 -135.61, 161.65 71.89, 90.85 65.05, -128.27 out-out out 14.431 Saltbr-out 12.345 HRD-in -73.92, -55.59 85.56, -13.18 out-out-in SNCooi out-in ActLoopNT-out 10.89 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -55.61, 121.54 APE9-dihe-in -139.09, 151.01 APE8-dihe-in -79.04, 70.35 APE8-rot-na 28.98 APE67-dihe-in -76.22, -0.44 -56.63, -35.75 APE12-dist-na 22.704 APE11-dist-na 17.972 APE10-dist-na 17.34 APE9-dist-in 7.149 None None None XRAY 2.0 0.215 0.232 A 306 290 4 0 0 0 [[1078, 1339]] 1.0 2wgj Homo sapiens TYR_MET_HUMAN TYR 6.7e-92 313.6 2 260 259 1221 1222 1223 1225 1227 1110 1127 1131 1201 1203 1202 1204 1265 1253 1248 1247 1246 1245 1244 1243 1242 1158 Hepatocyte growth factor receptor
TYR ROS1 ROS1_HUMAN 3ZBFA P08922 1934 2230 2347.0 VGH:3000 Type1 Inactive DFGin 6.553 14.56 ABAminus -129.17, -37.91 -114.96, 123.49 -118.51, 31.51 297.44, 69.18 -62.83, -16.28 in-in in 8.506 Saltbr-in 3.499 HRD-in -86.85, -45.31 73.51, 7.34 in-in-out SNCiio in-out ActLoopNT-in 2.938 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -30.1 APE8-dihe-in -94.83, 74.5 APE8-rot-na 33.93 APE67-dihe-in -65.41, -17.17 -63.88, -31.54 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 10.1 None None None XRAY 2.2 0.236 0.282 A 322 282 15 0 0 12 [[1945, 2217]] 1.0 3zbf Homo sapiens TYR_ROS1_HUMAN TYR 5.4e-95 323.5 3 260 258 2101 2102 2103 2105 2107 1980 1997 2001 2076 2078 2077 2079 2143 2131 2126 2125 2124 2123 2122 2121 2120 2027 Proto-oncogene tyrosine-protein kinase ROS

Ligand: VGH (Crizotinib, Xalkori)

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
All chains - renumbered by
Uniprot PDB Alignment

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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