› 2hi4

X-ray diffraction
1.95Å resolution

Crystal Structure of Human Microsomal P450 1A2 in complex with alpha-naphthoflavone

Released:
DOI: 10.2210/pdb2hi4/pdb
PDB entry 2hi4 coloured by chain, front view.
PDB entry 2hi4 coloured by chain, side view.
PDB entry 2hi4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Adaptations for the oxidation of polycyclic aromatic hydrocarbons exhibited by the structure of human P450 1A2.
Sansen S, Yano JK, Reynald RL, Schoch GA, Griffin KJ, Stout CD, Johnson EF
J Biol Chem 282 14348-55 (2007)
PMID: 17311915

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-138578 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 1A2 Chain: A
Molecule details ›
Chain: A
Length: 495 amino acids
Theoretical weight: 56.29 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P05177 (Residues: 27-516; Coverage: 95%)
Gene name: CYP1A2
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 BL11-1
Spacegroup: I222
Unit cell:
a: 79.63Å b: 80.82Å c: 175.82Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.223 0.226 0.267
Expression system: Escherichia coli

Quick links

Citations

50 review citations

Cytochrome P450 enzymes in drug metabolism: regulation of gene expression, enzyme activities, and impact of genetic variation.
Zanger et al. (2013)
49 more

123 mentions without citation

Insights into the substrate specificity, inhibitors, regulation, and polymorphisms and the clinical impact of human cytochrome P450 1A2.
Zhou et al. (2009)
122 more