PDBe 5w0c

X-ray diffraction
2Å resolution

Cytochrome P450 (CYP) 2C9 TCA007 Inhibitor Complex

Released:

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 DH5[alpha]
UniProt:
  • Canonical: P11712 (Residues: 18-489; Coverage: 95%)
Gene names: CYP2C10, CYP2C9
Sequence domains: Cytochrome P450

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: R3
Unit cell:
a: 91.394Å b: 91.394Å c: 169.225Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.184 0.182 0.226
Expression system: Escherichia coli DH5[alpha]