› 1ips

X-ray diffraction
2.5Å resolution

ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (MANGANESE COMPLEX)

Released:
DOI: 10.2210/pdb1ips/pdb
PDB entry 1ips coloured by chain, front view.
PDB entry 1ips coloured by chain, side view.
PDB entry 1ips coloured by chain, top view.
Source organism: Aspergillus nidulans
Primary publication:
Crystal structure of isopenicillin N synthase is the first from a new structural family of enzymes.
Roach PL, Clifton IJ, Fülöp V, Harlos K, Barton GJ, Hajdu J, Andersson I, Schofield CJ, Baldwin JE
Nature 375 700-4 (1995)
PMID: 7791906

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:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138629 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Isopenicillin N synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 331 amino acids
Theoretical weight: 37.56 KDa
Source organism: Aspergillus nidulans
Expression system: Escherichia coli
UniProt:
  • 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

1 bound ligand:
Ligand MN 4 x MN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID2
Spacegroup: P212121
Unit cell:
a: 59.2Å b: 127Å c: 139.6Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.22 0.22 0.265
Expression system: Escherichia coli

Quick links

Citations

43 review citations

Oxygen sensing by HIF hydroxylases.
Schofield et al. (2004)
42 more

3 mentions without citation

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