› 3ebs

X-ray diffraction
2.15Å resolution

Human Cytochrome P450 2A6 I208S/I300F/G301A/S369G in complex with Phenacetin

Released:
DOI: 10.2210/pdb3ebs/pdb
PDB entry 3ebs coloured by chain, front view.
PDB entry 3ebs coloured by chain, side view.
PDB entry 3ebs coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Key residues controlling phenacetin metabolism by human cytochrome P450 2A enzymes.
DeVore NM, Smith BD, Urban MJ, Scott EE
Drug Metab Dispos 36 2582-90 (2008)
PMID: 18779312

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145860 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 2A6 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 476 amino acids
Theoretical weight: 54.66 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11509 (Residues: 29-494; Coverage: 94%)
Gene names: CYP2A3, CYP2A6
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

2 bound ligands:
Ligand HEM 4 x HEM
Ligand N4E 3 x N4E
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P21
Unit cell:
a: 70.85Å b: 159.126Å c: 103.993Å
α: 90° β: 92.08° γ: 90°
R-values:
R R work R free
0.214 0.211 0.269
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Conformational plasticity and structure/function relationships in cytochromes P450.
Pochapsky et al. (2010)
3 more

6 mentions without citation

The cytochrome P450 2AA gene cluster in zebrafish (Danio rerio): expression of CYP2AA1 and CYP2AA2 and response to phenobarbital-type inducers.
Kubota et al. (2013)
5 more