PDBe 5a1r

X-ray diffraction
2.45Å resolution

Crystal structure of cytochrome P450 3A4 bound to progesterone

Released:
Source organism: Homo sapiens
Primary publication:
Anion-Dependent Stimulation of CYP3A4 Monooxygenase.
Biochemistry (2015)
PMID: 26066995

Function and Biology Details

Reactions catalysed:
Albendazole + [reduced NADPH--hemoprotein reductase] + O(2) = albendazole S-oxide + [oxidized NADPH--hemoprotein reductase] + H(2)O
1,8-cineole + [reduced NADPH--hemoprotein reductase] + O(2) = 2-exo-hydroxy-1,8-cineole + [oxidized NADPH--hemoprotein reductase] + H(2)O
Quinine + [reduced NADPH--hemoprotein reductase] + O(2) = 3-hydroxyquinine + [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 3A4 Chain: A
Molecule details ›
Chain: A
Length: 487 amino acids
Theoretical weight: 55.76 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P08684 (Residues: 21-503; Coverage: 96%)
Gene names: CYP3A3, CYP3A4
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: ALS BEAMLINE 8.2.2
Spacegroup: I222
Unit cell:
a: 77.75Å b: 102.14Å c: 129.38Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.195 0.192 0.262
Expression system: Escherichia coli BL21(DE3)