PDBe 5a5j

X-ray diffraction
2.9Å resolution

Cytochrome 2C9 P450 inhibitor complex

Released:
Source organism: Homo sapiens
Entry authors: Skerratt SE, de Groot MJ, Phillips C

Function and Biology Details

Reactions catalysed:
(+)-(R)-limonene + [reduced NADPH--hemoprotein reductase] + O(2) = (+)-trans-carveol + [oxidized NADPH--hemoprotein reductase] + H(2)O
(S)-limonene + [reduced NADPH--hemoprotein reductase] + O(2) = (-)-perillyl alcohol + [oxidized NADPH--hemoprotein reductase] + H(2)O
(S)-limonene + [reduced NADPH--hemoprotein reductase] + O(2) = (-)-trans-carveol + [oxidized NADPH--hemoprotein reductase] + H(2)O
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 2C9 Chain: A
Molecule details ›
Chain: A
Length: 477 amino acids
Theoretical weight: 54.32 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11712 (Residues: 23-489; Coverage: 95%)
Gene names: CYP2C10, CYP2C9
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-D
Spacegroup: R3
Unit cell:
a: 91.29Å b: 91.29Å c: 169.37Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.217 0.213 0.288
Expression system: Escherichia coli