› 4tri

X-ray diffraction
2Å resolution

X-ray crystal structure of CYP142A2 from Mycobacterium smegmatis, complexed with cholesterol sulfate.

Released:
DOI: 10.2210/pdb4tri/pdb
PDB entry 4tri coloured by chain, front view.
PDB entry 4tri coloured by chain, side view.
PDB entry 4tri coloured by chain, top view.
Source organism: Mycolicibacterium smegmatis MC2 155
Primary publication:
Cholesterol ester oxidation by mycobacterial cytochrome P450.
Frank DJ, Madrona Y, Ortiz de Montellano PR
J Biol Chem 289 30417-30425 (2014)
PMID: 25210044

Function and Biology Details

Reaction catalysed: 
(1a) cholest-4-en-3-one + 2 reduced [2Fe-2S] ferredoxin + O(2) = (25R)-26-hydroxycholest-4-en-3-one + 2 oxidized [2Fe-2S] ferredoxin + 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-106457 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Steroid C26-monooxygenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 407 amino acids
Theoretical weight: 45.78 KDa
Source organism: Mycolicibacterium smegmatis MC2 155
Expression system: Escherichia coli
UniProt:
  • Canonical: A0R4Q6 (Residues: 1-401; Coverage: 100%)
Gene names: MSMEG_5918, cyp142, cyp142A2
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

3 bound ligands:
Ligand HEM 2 x HEM
Ligand C3S 2 x C3S
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P212121
Unit cell:
a: 61.455Å b: 96.14Å c: 145.888Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.165 0.163 0.213
Expression system: Escherichia coli

Quick links

Citations

7 review citations

Cholesterol and fatty acids grease the wheels of Mycobacterium tuberculosis pathogenesis.
Wilburn et al. (2018)
6 more

3 mentions without citation

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