STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-(3,5-Difluoro-phenyl)-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol. Determined by X-ray diffraction at 1.71 Å resolution. Released 19 Jul 2023.
Explore 8CK3 in 3D Show helices and sheets RCSB PDB PDBe
8CK3 contains 10 α-helices and 20 β-strands across 2 chains. 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 | 236 | 1 | 1 |
| α-helix | 240-242 | 3 | |
| β-strand | 243-248 | 6 | 2 |
| β-strand | 253 | 1 | 3 |
| β-strand | 254-257 | 4 | 2 |
| α-helix | 260-265 | 6 | |
| α-helix | 269-272 | 4 | |
| β-strand | 273 | 1 | 2 |
| β-strand | 276 | 1 | 3 |
| α-helix | 277-280 | 4 | |
| β-strand | 281 | 1 | 2 |
| α-helix | 283-299 | 17 | |
| β-strand | 301-303 | 3 | 2 |
| β-strand | 307-310 | 4 | 2 |
| β-strand | 316-327 | 12 | 2 |
| β-strand | 334-343 | 10 | 2 |
| β-strand | 348 | 1 | 1 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 362-367 | 6 | 4 |
| β-strand | 372 | 1 | 5 |
| β-strand | 373-376 | 4 | 4 |
| α-helix | 380-384 | 5 | |
| α-helix | 388-391 | 4 | |
| β-strand | 395 | 1 | 5 |
| α-helix | 396-399 | 4 | |
| β-strand | 400 | 1 | 4 |
| α-helix | 405-415 | 11 | |
| β-strand | 423-430 | 8 | 4 |
| β-strand | 436-446 | 11 | 4 |
| α-helix | 453-455 | 3 | |
| β-strand | 456-463 | 8 | 4 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Endothelial PAS domain-containing protein 1 | A | protein | 118 | Homo sapiens | Q99814 (AlphaFold model) |
| Aryl hydrocarbon receptor nuclear translocator | B | protein | 122 | Homo sapiens | P27540 (AlphaFold model) |
>8CK3_1 Endothelial PAS domain-containing protein 1 (chains A) GEFKGLDSKTFLSEHSMDMKFTYCDDRITELIGYHPEELLGRSAYEFYHALDSENMTKSH QNLCTKGQVVSGQYRMLAKHGGYVWLETQGTVIYNPRNLQPQCIMCVNYVLSEIEKNG
>8CK3_2 Aryl hydrocarbon receptor nuclear translocator (chains B) GEFKGLNVCQPTRFISRHNIEGIFTFVDHRCVATVGYQPQELLGKNIVEFCHPEDQQLLR DSFQQVVKLKGQVLSVMFRFRSKNQEWLWMRTSSFTFQNPYSDEIEYIICTNTNVKNSSQ EG
| ID | Name | Formula | Copies |
|---|---|---|---|
| UXU | (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-di… | C14 H10 F4 O3 S2 | 1 |
Water and common crystallization additives (DMS) are not listed.
Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors. Buchstaller, H.P., Sala-Hojman, A., Leiendecker, M. et al. J Med Chem (2023) 66:8666-8686. DOI 10.1021/acs.jmedchem.3c00332 · PubMed
Other PDB entries of the same protein (UniProt Q99814 (AlphaFold model), which also has an AlphaFold model), best resolution first:
MolViewer shows 8CK3 directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.