› 3s7s

X-ray diffraction
3.21Å resolution

Crystal structure of human placental aromatase complexed with breast cancer drug exemestane

Released:
DOI: 10.2210/pdb3s7s/pdb
PDB entry 3s7s coloured by chain, front view.
PDB entry 3s7s coloured by chain, side view.
PDB entry 3s7s coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Novel aromatase inhibitors by structure-guided design.
Ghosh D, Lo J, Morton D, Valette D, Xi J, Griswold J, Hubbell S, Egbuta C, Jiang W, An J, Davies HM
J Med Chem 55 8464-76 (2012)
PMID: 22951074

Function and Biology Details

Reaction catalysed: 
(1a) testosterone + [reduced NADPH--hemoprotein reductase] + O(2) = 19-hydroxytestosterone + H(2)O + [oxidized NADPH--hemoprotein reductase]
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145862 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aromatase Chain: A
Molecule details ›
Chain: A
Length: 503 amino acids
Theoretical weight: 57.95 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11511 (Residues: 1-503; Coverage: 100%)
Gene names: ARO1, CYAR, CYP19, CYP19A1
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 1 x HEM
1 bound ligand:
Ligand EXM 1 x EXM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE A1
Spacegroup: P3221
Unit cell:
a: 140.626Å b: 140.626Å c: 119.024Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.223 0.221 0.256
Expression system: Escherichia coli

Quick links

Citations

16 review citations

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

24 mentions without citation

Recent Structural Insights into Cytochrome P450 Function.
Guengerich et al. (2016)
23 more