› 3ivy

X-ray diffraction
1.35Å resolution

Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125, p212121 crystal form

Released:
DOI: 10.2210/pdb3ivy/pdb
PDB entry 3ivy coloured by chain, front view.
PDB entry 3ivy coloured by chain, side view.
PDB entry 3ivy coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection.
McLean KJ, Lafite P, Levy C, Cheesman MR, Mast N, Pikuleva IA, Leys D, Munro AW
J Biol Chem 284 35524-33 (2009)
PMID: 19846552

Function and Biology Details

Reaction catalysed: 
(1a) cholest-4-en-3-one + 2 reduced ferredoxin [iron-sulfur] cluster + 2 H(+) + O(2) = (25S)-26-hydroxycholest-4-en-3-one + 2 oxidized ferredoxin [iron-sulfur] cluster + H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161999 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Steroid C26-monooxygenase Chain: A
Molecule details ›
Chain: A
Length: 433 amino acids
Theoretical weight: 48.49 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WPP1 (Residues: 1-433; Coverage: 100%)
Gene names: MTCY03C7.11, Rv3545c, cyp125, cyp125A1
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P212121
Unit cell:
a: 60.03Å b: 86.02Å c: 89.63Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.161 0.158 0.204
Expression system: Escherichia coli

Quick links

Citations

18 review citations

Cholesterol catabolism as a therapeutic target in Mycobacterium tuberculosis.
Ouellet et al. (2011)
17 more

4 mentions without citation

Mycobacterium tuberculosis CYP125A1, a steroid C27 monooxygenase that detoxifies intracellularly generated cholest-4-en-3-one.
Ouellet et al. (2010)
3 more