› 9fsn

X-ray diffraction
2.2Å resolution

FIH in complex with Enarodustat crystal structure at 2.2A

Released:
DOI: 10.2210/pdb9fsn/pdb
Model geometry
Fit model/data
PDB entry 9fsn coloured by chain, front view.
PDB entry 9fsn coloured by chain, side view.
PDB entry 9fsn coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystallographic and Selectivity Studies on the Approved HIF Prolyl Hydroxylase Inhibitors Desidustat and Enarodustat.
Corner TP, Salah E, Tumber A, Kaur S, Nakashima Y, Allen MD, Schnaubelt LI, Fiorini G, Brewitz L, Schofield CJ
ChemMedChem 19 e202400504 (2024)
PMID: 39291299

Function and Biology Details

Reactions catalysed: 
Hypoxia-inducible factor-L-asparagine + 2-oxoglutarate + O(2) = hypoxia-inducible factor-(3S)-3-hydroxy-L-asparagine + succinate + CO(2)
[Ankyrin-repeat domain protein]-L-asparagine + 2-oxoglutarate + O(2) = [ankyrin-repeat domain protein]-(3S)-3-hydroxy-L-asparagine + succinate + CO(2)
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192661 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Hypoxia-inducible factor 1-alpha inhibitor Chain: A
Molecule details ›
Chain: A
Length: 350 amino acids
Theoretical weight: 40.42 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9NWT6 (Residues: 1-349; Coverage: 100%)
Gene names: FIH1, HIF1AN
Sequence domains: Cupin-like domain

Ligands and Environments

2 bound ligands:
Ligand MN 1 x MN
Ligand A1IF7 1 x A1IF7
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P41212
Unit cell:
a: 86.45Å b: 86.45Å c: 147.22Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.197 0.208
Expression system: Escherichia coli BL21(DE3)

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