› 3e4e

X-ray diffraction
2.6Å resolution

Human cytochrome P450 2E1 in complex with the inhibitor 4-methylpyrazole

Released:
DOI: 10.2210/pdb3e4e/pdb
PDB entry 3e4e coloured by chain, front view.
PDB entry 3e4e coloured by chain, side view.
PDB entry 3e4e coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structures of human cytochrome P-450 2E1. Insights into the binding of inhibitors and both small molecular weight and fatty acid substrates.
Porubsky PR, Meneely KM, Scott EE
J Biol Chem 283 33698-707 (2008)
PMID: 18818195

Function and Biology Details

Reactions catalysed: 
4-nitrophenol + NADPH + O(2) = 4-nitrocatechol + NADP(+) + H(2)O
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-138579 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 2E1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 476 amino acids
Theoretical weight: 55.06 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P05181 (Residues: 32-493; Coverage: 94%)
Gene names: CYP2E, CYP2E1
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
1 bound ligand:
Ligand 4PZ 2 x 4PZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-1
Spacegroup: P43
Unit cell:
a: 71.193Å b: 71.193Å c: 225.888Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.201 0.197 0.277
Expression system: Escherichia coli

Quick links

Citations

20 review citations

Structure, function, regulation and polymorphism and the clinical significance of human cytochrome P450 1A2.
Zhou et al. (2010)
19 more

15 mentions without citation

Structural features of cytochromes P450 and ligands that affect drug metabolism as revealed by X-ray crystallography and NMR.
Gay et al. (2010)
14 more