› 5t6q

X-ray diffraction
2.7Å resolution

Structure of cytochrome P450 4B1 (CYP4B1) complexed with octane: An n-Alkane and fatty acid omega-hydroxylase with a covalently bound heme

Released:
DOI: 10.2210/pdb5t6q/pdb
PDB entry 5t6q coloured by chain, front view.
PDB entry 5t6q coloured by chain, side view.
PDB entry 5t6q coloured by chain, top view.
Source organism: Oryctolagus cuniculus
Primary publication:
The Crystal Structure of Cytochrome P450 4B1 (CYP4B1) Monooxygenase Complexed with Octane Discloses Several Structural Adaptations for ω-Hydroxylation.
Hsu MH, Baer BR, Rettie AE, Johnson EF
J Biol Chem 292 5610-5621 (2017)
PMID: 28167536

Function and Biology Details

Reaction catalysed: 
RH + [reduced NADPH--hemoprotein reductase] + O(2) = ROH + [oxidized NADPH--hemoprotein reductase] + H(2)O
Biochemical function:
Biological process:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147226 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 4B1 Chain: A
Molecule details ›
Chain: A
Length: 497 amino acids
Theoretical weight: 57.85 KDa
Source organism: Oryctolagus cuniculus
Expression system: Escherichia coli
UniProt:
  • Canonical: P15128 (Residues: 18-18, 20-506; Coverage: 96%)
Gene name: CYP4B1
Sequence domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 1 x HEM
1 bound ligand:
Ligand OCT 1 x OCT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: P3221
Unit cell:
a: 109.678Å b: 109.678Å c: 125.817Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.202 0.2 0.24
Expression system: Escherichia coli

Quick links

Citations

4 review citations

The Biosynthesis of Enzymatically Oxidized Lipids.
Hajeyah et al. (2020)
3 more

11 mentions without citation

Applications of protein engineering in the microbial synthesis of plant triterpenoids.
Luo et al. (2023)
10 more