Tgf-beta receptor type 1 kinase domain (T204D) in complex with 6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-YL]IMIDAZO[1,2-b]pyridazine-3-carbonitrile. Determined by X-ray diffraction at 1.67 Å resolution. Released 5 Feb 2020.
Explore 5QU0 in 3D Show helices and sheets RCSB PDB PDBe
5QU0 contains 19 α-helices and 18 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 |
|---|---|---|---|
| α-helix | 202-204 | 3 | |
| β-strand | 205-213 | 9 | 1 |
| β-strand | 218-224 | 7 | 1 |
| β-strand | 227-235 | 9 | 1 |
| α-helix | 236-238 | 3 | |
| α-helix | 239-249 | 11 | |
| β-strand | 259 | 1 | 2 |
| β-strand | 262-269 | 8 | 1 |
| β-strand | 274-281 | 8 | 1 |
| β-strand | 287 | 1 | 2 |
| α-helix | 288-294 | 7 | |
| β-strand | 297 | 1 | 3 |
| α-helix | 299-317 | 19 | |
| β-strand | 320 | 1 | 4 |
| β-strand | 326 | 1 | 4 |
| β-strand | 328-330 | 3 | 5 |
| α-helix | 336-338 | 3 | |
| β-strand | 339-341 | 3 | 2 |
| β-strand | 347-349 | 3 | 2 |
| α-helix | 352-354 | 3 | |
| β-strand | 356-359 | 4 | 5 |
| β-strand | 364-365 | 2 | 5 |
| α-helix | 369-370 | 2 | |
| α-helix | 376-378 | 3 | |
| α-helix | 381-384 | 4 | |
| α-helix | 394-413 | 20 | |
| β-strand | 415 | 1 | 3 |
| β-strand | 417 | 1 | 6 |
| β-strand | 420 | 1 | 6 |
| α-helix | 422-424 | 3 | |
| α-helix | 438-442 | 5 | |
| α-helix | 443-447 | 5 | |
| α-helix | 456-459 | 4 | |
| α-helix | 462-474 | 13 | |
| α-helix | 479-481 | 3 | |
| α-helix | 483-484 | 2 | |
| α-helix | 485-499 | 15 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 | A | protein | 307 | Homo sapiens | P36897 (AlphaFold model) |
>5QU0_1 TGF-beta receptor type-1 (chains A) GHMTIARDIVLQESIGKGRFGEVWRGKWRGEEVAVKIFSSREERSWFREAEIYQTVMLRH ENILGFIAADNKDNGTWTQLWLVSDYHEHGSLFDYLNRYTVTVEGMIKLALSTASGLAHL HMEIVGTQGKPAIAHRDLKSKNILVKKNGTCCIADLGLAVRHDSATDTIDIAPNHRVGTK RYMAPEVLDDSINMKHFESFKRADIYAMGLVFWEIARRCSIGGIHEDYQLPYYDLVPSDP SVEEMRKVVCEQKLRPNIPNRWQSCEALRVMAKIMRECWYANGAARLTALRIKKTLSQLS QQEGIKM
| ID | Name | Formula | Copies |
|---|---|---|---|
| QMV | 6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-yl]imidazo[1,2-… | C18 H12 Cl F N6 O | 1 |
Water and common crystallization additives (GOL) are not listed.
Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent. Velaparthi, U., Darne, C.P., Warrier, J. et al. ACS Med Chem Lett (2020) 11:172-178. DOI 10.1021/acsmedchemlett.9b00552 · PubMed
Other PDB entries of the same protein (UniProt P36897 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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