› 3me6

X-ray diffraction
3.1Å resolution

Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug clopidogrel

Released:
DOI: 10.2210/pdb3me6/pdb
PDB entry 3me6 coloured by chain, front view.
PDB entry 3me6 coloured by chain, side view.
PDB entry 3me6 coloured by chain, top view.
Source organism: Oryctolagus cuniculus
Primary publication:
Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel .
Gay SC, Roberts AG, Maekawa K, Talakad JC, Hong WX, Zhang Q, Stout CD, Halpert JR
Biochemistry 49 8709-20 (2010)
PMID: 20815363

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

Assembly composition:
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 CGE 4 x CGE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P3
Unit cell:
a: 234.49Å b: 234.49Å c: 57.32Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.181 0.178 0.234
Expression system: Escherichia coli

Quick links

Citations

5 review citations

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

11 mentions without citation

Trendspotting in the Protein Data Bank.
Berman et al. (2013)
10 more