› 3g93

X-ray diffraction
3.2Å resolution

Single ligand occupancy crystal structure of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole

Released:
DOI: 10.2210/pdb3g93/pdb
PDB entry 3g93 coloured by chain, front view.
PDB entry 3g93 coloured by chain, side view.
PDB entry 3g93 coloured by chain, top view.
Source organism: Oryctolagus cuniculus
Primary publication:
Crystal structures of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole: ligand-induced structural response through alpha-helical repositioning.
Gay SC, Sun L, Maekawa K, Halpert JR, Stout CD
Biochemistry 48 4762-71 (2009)
PMID: 19397311

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:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
homo tetramer
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132309 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 2B4 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 476 amino acids
Theoretical weight: 54.17 KDa
Source organism: Oryctolagus cuniculus
Expression system: Escherichia coli
UniProt:
  • Canonical: P00178 (Residues: 20-491; Coverage: 96%)
Gene name: CYP2B4
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 4 x HEM
1 bound ligand:
Ligand PB2 4 x PB2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P212121
Unit cell:
a: 86.91Å b: 151.815Å c: 181.583Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.239 0.237 0.27
Expression system: Escherichia coli

Quick links

Citations

8 review citations

Clinical and molecular pharmacology of etomidate.
Forman SA. (2011)
7 more

5 mentions without citation

Plasticity of CYP2B enzymes: structural and solution biophysical methods.
Wilderman et al. (2012)
4 more