Crystal structure of Casdatifan bound to HIF2a-B*:ARNT-B* complex. Determined by X-ray diffraction at 1.56 Å resolution. Released 18 Feb 2026.
Explore 9I64 in 3D Show helices and sheets RCSB PDB PDBe
9I64 contains 10 α-helices and 18 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 | 243-248 | 6 | 1 |
| β-strand | 253 | 1 | 2 |
| β-strand | 254-257 | 4 | 1 |
| α-helix | 260-265 | 6 | |
| α-helix | 269-272 | 4 | |
| β-strand | 276 | 1 | 2 |
| α-helix | 277-280 | 4 | |
| β-strand | 281 | 1 | 1 |
| α-helix | 286-299 | 14 | |
| β-strand | 301-303 | 3 | 1 |
| β-strand | 307-310 | 4 | 1 |
| α-helix | 311 | 1 | |
| β-strand | 316-328 | 13 | 1 |
| β-strand | 333-343 | 11 | 1 |
| β-strand | 348 | 1 | 1 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 362-368 | 7 | 3 |
| β-strand | 372 | 1 | 4 |
| β-strand | 373-376 | 4 | 3 |
| α-helix | 380-384 | 5 | |
| α-helix | 388-391 | 4 | |
| β-strand | 395 | 1 | 4 |
| α-helix | 396-399 | 4 | |
| β-strand | 400 | 1 | 3 |
| α-helix | 402-404 | 3 | |
| α-helix | 405-418 | 14 | |
| β-strand | 423-431 | 9 | 3 |
| β-strand | 435-445 | 11 | 3 |
| β-strand | 456-463 | 8 | 3 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Endothelial PAS domain-containing protein 1 | A | protein | 112 | Homo sapiens | Q99814 (AlphaFold model) |
| Aryl hydrocarbon receptor nuclear translocator | B | protein | 116 | Homo sapiens | P27540 (AlphaFold model) |
>9I64_1 Endothelial PAS domain-containing protein 1 (chains A) SDSKTFLSEHSMDMKFTYCDDRITELIGYHPEELLGRSAYEFYHALDSENMTKSHQNLCT KGQVVSGQYRMLAKHGGYVWLETQGTVIYNPRNLQPQCIMCVNYVLSEIEKN
>9I64_2 Aryl hydrocarbon receptor nuclear translocator (chains B) SNVCQPTRFISRHNIEGIFTFVDHRCVATVGYQPQELLGKNIVEFCHPEDQQLLRDSFQQ VVKLKGQVLSVMFRFRSKNQEWLWMRTSSFTFQNPYSDEIEYIICTNTNVKNSSQE
| ID | Name | Formula | Copies |
|---|---|---|---|
| A1I0H | (5~{R},6~{S},8~{R})-3,5,6-tris(fluoranyl)-8-[(1~{S},2~{R})-2-fluoranyl-7-methyl… | C21 H17 F4 N O3 S | 1 |
| MG | Magnesium ion | Mg | 1 |
Water and common crystallization additives (FMT) are not listed.
Discovery of Casdatifan, Part II: A Potent and Orally Bioavailable Inhibitor of Hypoxia Inducible Factor-2 alpha. Mailyan, A.K., Mata, G., Beatty, J.W. et al. J Med Chem (2026) 69:14952-14988. DOI 10.1021/acs.jmedchem.5c03724 · PubMed
Other PDB entries of the same protein (UniProt Q99814 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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