Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 3-((1R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)- 5-(3-(methylsulfonyl)phenyl)pyridin-2-amine. Determined by X-ray diffraction at 1.73 Å resolution. Released 28 May 2014.
Explore 4CMT in 3D Show helices and sheets RCSB PDB PDBe
4CMT contains 20 α-helices and 12 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 1096-1098 | 3 | 1 |
| β-strand | 1101-1103 | 3 | 1 |
| α-helix | 1105-1107 | 3 | |
| β-strand | 1110 | 1 | 2 |
| α-helix | 1111-1112 | 2 | |
| α-helix | 1113-1115 | 3 | |
| β-strand | 1117-1123 | 7 | 2 |
| β-strand | 1130-1134 | 5 | 2 |
| β-strand | 1146-1151 | 6 | 2 |
| α-helix | 1158-1173 | 16 | |
| β-strand | 1179 | 1 | 3 |
| α-helix | 1180-1181 | 2 | |
| β-strand | 1182-1186 | 5 | 2 |
| β-strand | 1193-1197 | 5 | 2 |
| β-strand | 1202-1203 | 2 | 3 |
| α-helix | 1204-1211 | 8 | |
| α-helix | 1223-1242 | 20 | |
| α-helix | 1252-1254 | 3 | |
| β-strand | 1255-1257 | 3 | 3 |
| β-strand | 1266-1268 | 3 | 3 |
| α-helix | 1272-1278 | 7 | |
| α-helix | 1293-1295 | 3 | |
| α-helix | 1298-1303 | 6 | |
| α-helix | 1308-1323 | 16 | |
| α-helix | 1327-1328 | 2 | |
| α-helix | 1335-1343 | 9 | |
| α-helix | 1348-1351 | 4 | |
| α-helix | 1356-1365 | 10 | |
| α-helix | 1370-1372 | 3 | |
| α-helix | 1376-1388 | 13 | |
| α-helix | 1390-1393 | 4 | |
| α-helix | 1395-1398 | 4 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Alk tyrosine kinase receptor | A | protein | 327 | HOMO SAPIENS | Q9UM73 (AlphaFold model) |
>4CMT_1 ALK TYROSINE KINASE RECEPTOR (chains A) MAHHHHHHNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSP LQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMAGGDL KSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGR VAKIGDFGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFS LGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIE YCTQDPDVINTALPIEYGPLVEEEEKV
| ID | Name | Formula | Copies |
|---|---|---|---|
| GWH | 3-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-5-[3-(m… | C22 H22 F N5 O3 S | 1 |
Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against…. Johnson, T.W., Richardson, P.F., Bailey, S. et al. J Med Chem (2014) 57:4720. DOI 10.1021/JM500261Q · PubMed
Other PDB entries of the same protein (UniProt Q9UM73 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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