PDBe 1w2n

X-ray diffraction
2.7Å resolution

Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) 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:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Deacetoxycephalosporin C synthase Chain: A
Molecule details ›
Chain: A
Length: 331 amino acids
Theoretical weight: 36.76 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

2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P3121
Unit cell:
a: 138.8Å b: 138.8Å c: 48.6Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.249 0.246 0.287
Expression system: Escherichia coli