› 3pm0

X-ray diffraction
2.7Å resolution

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

Released:
DOI: 10.2210/pdb3pm0/pdb
PDB entry 3pm0 coloured by chain, front view.
PDB entry 3pm0 coloured by chain, side view.
PDB entry 3pm0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural characterization of the complex between alpha-naphthoflavone and human cytochrome P450 1B1.
Wang A, Savas U, Stout CD, Johnson EF
J Biol Chem 286 5736-43 (2011)
PMID: 21147782

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
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172554 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
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
UniProt:
  • 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:
Ligand BHF 1 x BHF
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-values:
R R work R free
0.236 0.235 0.278
Expression system: Escherichia coli

Quick links

Citations

16 review citations

Structural diversity of eukaryotic membrane cytochrome p450s.
Johnson et al. (2013)
15 more

36 mentions without citation

The structural biology of oestrogen metabolism.
Thomas et al. (2013)
35 more