› 4apy

X-ray diffraction
2Å resolution

Ethylene glycol-bound form of P450 CYP125A3 from Mycobacterium smegmatis

Released:
DOI: 10.2210/pdb4apy/pdb
PDB entry 4apy coloured by chain, front view.
PDB entry 4apy coloured by chain, side view.
PDB entry 4apy coloured by chain, top view.
Source organism: Mycolicibacterium smegmatis MC2 155
Primary publication:
A highly conserved mycobacterial cholesterol catabolic pathway.
García-Fernández E, Frank DJ, Galán B, Kells PM, Podust LM, García JL, Ortiz de Montellano PR
Environ Microbiol 15 2342-59 (2013)
PMID: 23489718

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-106461 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Steroid C26-monooxygenase Chain: A
Molecule details ›
Chain: A
Length: 433 amino acids
Theoretical weight: 47.99 KDa
Source organism: Mycolicibacterium smegmatis MC2 155
Expression system: Escherichia coli DH5[alpha]
UniProt:
  • Canonical: A0R4Y3 (Residues: 1-427; Coverage: 100%)
Gene names: MSMEG_5995, cyp125, cyp125A3
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

3 bound ligands:
Ligand EDO 11 x EDO
Ligand HEM 1 x HEM
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: I41
Unit cell:
a: 108.188Å b: 108.188Å c: 120.234Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.166 0.164 0.206
Expression system: Escherichia coli DH5[alpha]

Quick links

Citations

2 review citations

Bacterial steroid hydroxylases: enzyme classes, their functions and comparison of their catalytic mechanisms.
Szaleniec et al. (2018)
1 more

5 mentions without citation

On Prototropy and Bond Length Alternation in Neutral and Ionized Pyrimidine Bases and Their Model Azines in Vacuo.
Raczyńska ED. (2023)
4 more