PDBe 1unb

X-ray diffraction
1.5Å resolution

Deacetoxycephalosporin C synthase complexed with 2-oxoglutarate and ampicillin

Released:

Function and Biology Details

Reaction catalysed:
Penicillin N + 2-oxoglutarate + O(2) = deacetoxycephalosporin C + succinate + CO(2) + H(2)O. 
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Deacetoxycephalosporin C synthase Chain: A
Molecule details ›
Chain: A
Length: 311 amino acids
Theoretical weight: 34.59 KDa
Source organism: Streptomyces clavuligerus
Expression system: Escherichia coli
UniProt:
  • Canonical: P18548 (Residues: 1-311; Coverage: 100%)
Gene name: cefE
Sequence domains:
Structure domains: B-lactam Antibiotic, Isopenicillin N Synthase; Chain

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX II BEAMLINE I711
Spacegroup: R3
Unit cell:
a: 106.7Å b: 106.7Å c: 71.6Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.191 0.189 0.236
Expression system: Escherichia coli