› 4rek

X-ray diffraction
0.74Å resolution

Crystal structure and charge density studies of cholesterol oxidase from Brevibacterium sterolicum at 0.74 ultra-high resolution

Released:
DOI: 10.2210/pdb4rek/pdb
PDB entry 4rek coloured by chain, front view.
PDB entry 4rek coloured by chain, side view.
PDB entry 4rek coloured by chain, top view.
Source organism: Streptomyces sp. SA-COO
Primary publication:
Cholesterol oxidase: ultrahigh-resolution crystal structure and multipolar atom model-based analysis.
Zarychta B, Lyubimov A, Ahmed M, Munshi P, Guillot B, Vrielink A, Jelsch C
Acta Crystallogr D Biol Crystallogr 71 954-68 (2015)
PMID: 25849405

Function and Biology Details

Reactions catalysed: 
Cholesterol + O(2) = cholest-5-en-3-one + H(2)O(2)
A 3-oxo-Delta(5)-steroid = a 3-oxo-Delta(4)-steroid
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-146297 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cholesterol oxidase Chain: A
Molecule details ›
Chain: A
Length: 499 amino acids
Theoretical weight: 54.53 KDa
Source organism: Streptomyces sp. SA-COO
Expression system: Escherichia coli
UniProt:
  • Canonical: P12676 (Residues: 46-544; Coverage: 99%)
Gene name: choA
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand FAD 1 x FAD
1 bound ligand:
Ligand PO4 1 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P21
Unit cell:
a: 51.24Å b: 72.92Å c: 63.01Å
α: 90° β: 105.13° γ: 90°
R-values:
R R work R free
0.113 0.113 0.123
Expression system: Escherichia coli

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Citations

1 review citation

Neutron protein crystallography: A complementary tool for locating hydrogens in proteins.
O'Dell et al. (2016)
5 other articles

3 mentions without citation

How anisotropic and isotropic atomic displacement parameters monitor protein covalent bonds rigidity: isotropic B-factors underestimate bond rigidity.
Carugo O. (2021)
2 more