› 2jb8

X-ray diffraction
1.53Å resolution

Deacetoxycephalosporin C synthase complexed with 5-hydroxy-4-keto valeric acid

Released:
DOI: 10.2210/pdb2jb8/pdb
PDB 2jb8 coloured by chain and viewed from the front.
PDB 2jb8 coloured by chain and viewed from the side.
PDB 2jb8 coloured by chain and viewed from the top.
Source organism: Streptomyces clavuligerus
Primary publication:
Study of the Oxidative Half-Reaction Catalysed by a Non-Heme Ferrous Catalytic Centre by Means of Structural and Computational Methodologies
Cicero G, Carbonera C, Valegard K, Hajdu J, Andersson I, Ranghino G
Int J Quantum Chem 107 1514- (2007)

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:
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

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

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-3
Spacegroup: R3
Unit cell:
a: 106.5Å b: 106.5Å c: 71.2Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.212 0.21 0.249
Expression system: Escherichia coli

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