› 4eji

X-ray diffraction
2.1Å resolution

Human Cytochrome P450 2A13 in complex with two molecules of 4-(methylnitrosamino)-1-(3-puridyl)-1-butanone

Released:
DOI: 10.2210/pdb4eji/pdb
PDB entry 4eji coloured by chain, front view.
PDB entry 4eji coloured by chain, side view.
PDB entry 4eji coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Nicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone binding and access channel in human cytochrome P450 2A6 and 2A13 enzymes.
DeVore NM, Scott EE
J Biol Chem 287 26576-85 (2012)
PMID: 22700965

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-172559 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 2A13 Chain: A
Molecule details ›
Chain: A
Length: 476 amino acids
Theoretical weight: 54.8 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q16696 (Residues: 31-494; Coverage: 94%)
Gene name: CYP2A13
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 1 x HEM
1 bound ligand:
Ligand 0QA 2 x 0QA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: I422
Unit cell:
a: 122.807Å b: 122.807Å c: 194.213Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.203 0.201 0.236
Expression system: Escherichia coli

Quick links

Citations

10 review citations

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

4 mentions without citation

Nicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone binding and access channel in human cytochrome P450 2A6 and 2A13 enzymes.
DeVore et al. (2012)
3 more