› 1w2o

X-ray diffraction
3Å resolution

Deacetoxycephalosporin C synthase (with a N-terminal his-tag) in complex with Fe(II) and deacetoxycephalosporin C

Released:
DOI: 10.2210/pdb1w2o/pdb
PDB entry 1w2o coloured by chain, front view.
PDB entry 1w2o coloured by chain, side view.
PDB entry 1w2o coloured by chain, top view.
Source organism: Streptomyces clavuligerus
Primary publication:
Conformational flexibility of the C terminus with implications for substrate binding and catalysis revealed in a new crystal form of deacetoxycephalosporin C synthase.
Oster LM, van Scheltinga AC, Valegård K, Hose AM, Dubus A, Hajdu J, Andersson I
J Mol Biol 343 157-71 (2004)
PMID: 15381427

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
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148403 (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: 2OG-Fe(II) oxygenase superfamily
Structure domains: B-lactam Antibiotic, Isopenicillin N Synthase; Chain

Ligands and Environments

2 bound ligands:
Ligand FE 1 x FE
Ligand P1C 1 x P1C
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P3121
Unit cell:
a: 139.1Å b: 139.1Å c: 48.6Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.276 0.272 0.334
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Structural studies on 2-oxoglutarate oxygenases and related double-stranded beta-helix fold proteins.
Clifton et al. (2006)
5 more

1 mention without citation

Roles of 2-oxoglutarate oxygenases and isopenicillin N synthase in β-lactam biosynthesis.
Rabe et al. (2018)