› 1x8v

X-ray diffraction
1.55Å resolution

Estriol-bound and ligand-free structures of sterol 14alpha-demethylase (CYP51)

Released:
DOI: 10.2210/pdb1x8v/pdb
PDB entry 1x8v coloured by chain, front view.
PDB entry 1x8v coloured by chain, side view.
PDB entry 1x8v coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Estriol bound and ligand-free structures of sterol 14alpha-demethylase.
Podust LM, Yermalitskaya LV, Lepesheva GI, Podust VN, Dalmasso EA, Waterman MR
Structure 12 1937-45 (2004)
PMID: 15530358

Function and Biology Details

Reaction catalysed: 
(1a) a 14-alpha-methylsteroid + 2 reduced ferredoxin [iron-sulfur] cluster + 2 H(+) + O(2) = a 14-alpha-hydroxymethylsteroid + 2 oxidized ferredoxin [iron-sulfur] cluster + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-162005 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Sterol 14alpha-demethylase Chain: A
Molecule details ›
Chain: A
Length: 455 amino acids
Theoretical weight: 51.48 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WPP9 (Residues: 1-451; Coverage: 100%)
Gene names: MTCY369.09c, Rv0764c, cyp51
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

2 bound ligands:
Ligand HEM 1 x HEM
Ligand ESL 2 x ESL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P212121
Unit cell:
a: 47.161Å b: 84.522Å c: 110.811Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.206 0.227
Expression system: Escherichia coli

Quick links

Citations

8 review citations

Cytochrome P450s and cholesterol homeostasis.
Pikuleva IA. (2006)
7 more

7 mentions without citation

Drug strategies targeting CYP51 in neglected tropical diseases.
Choi et al. (2014)
6 more