X-ray diffraction
1.65Å resolution

Isopenicillin N synthase with substrate analogue AsMCOV


Function and Biology Details

Reaction catalysed:
N-((5S)-5-amino-5-carboxypentanoyl)-L-cysteinyl-D-valine + O(2) = isopenicillin N + 2 H(2)O
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Isopenicillin N synthase Chain: A
Molecule details ›
Chain: A
Length: 331 amino acids
Theoretical weight: 37.56 KDa
Source organism: Aspergillus nidulans
Expression system: Escherichia coli
  • Canonical: P05326 (Residues: 1-331; Coverage: 100%)
Gene names: AN2622, ipnA, ips
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: SRS BEAMLINE PX10.1
Spacegroup: P212121
Unit cell:
a: 41.576Å b: 75.353Å c: 101.511Å
α: 90° β: 90° γ: 90°
R R work R free
0.167 0.166 0.203
Expression system: Escherichia coli