› 4gl5

X-ray diffraction
3.48Å resolution

Structure of human placental aromatase complexed with designed inhibitor HDDG029 (compound 4)

Released:
DOI: 10.2210/pdb4gl5/pdb
PDB entry 4gl5 coloured by chain, front view.
PDB entry 4gl5 coloured by chain, side view.
PDB entry 4gl5 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
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 G29 1 x G29
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P3221
Unit cell:
a: 140.329Å b: 140.329Å c: 118.733Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.213 0.21 0.26

Quick links

Citations

16 review citations

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

7 mentions without citation

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