› 1w2a

X-ray diffraction
2.51Å resolution

Deacetoxycephalosporin C synthase (with his-tag) complexed with Fe(II) and ethylene glycol

Released:
DOI: 10.2210/pdb1w2a/pdb
PDB entry 1w2a coloured by chain, front view.
PDB entry 1w2a coloured by chain, side view.
PDB entry 1w2a 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: X
Molecule details ›
Chain: X
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 EDO 2 x EDO
Ligand FE 1 x FE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P3121
Unit cell:
a: 137.8Å b: 137.8Å c: 48.6Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.229 0.228 0.254
Expression system: Escherichia coli

Quick links

Citations

7 review citations

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

2 mentions without citation

Mesoporous inorganic salts with crystal defects: unusual catalysts and catalyst supports.
Kang et al. (2015)
1 more