X-ray diffraction
2.7Å resolution

Structural Characterization of the Complex between Alpha-Naphthoflavone and Human Cytochrome P450 1B1 (CYP1B1)


Function and Biology Details

Reactions catalysed:
RH + [reduced NADPH--hemoprotein reductase] + O(2) = ROH + [oxidized NADPH--hemoprotein reductase] + H(2)O
A hydroperoxy icosatetraenoate = an oxoicosatetraenoate + H(2)O

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Cytochrome P450 1B1 Chain: A
Molecule details ›
Chain: A
Length: 507 amino acids
Theoretical weight: 56.9 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
  • Canonical: Q16678 (Residues: 51-543; Coverage: 91%)
Gene name: CYP1B1
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

Cofactor: Ligand HEM 1 x HEM
1 bound ligand:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P21212
Unit cell:
a: 84.17Å b: 103.98Å c: 62.97Å
α: 90° β: 90° γ: 90°
R R work R free
0.236 0.235 0.278
Expression system: Escherichia coli