› 8p7o

X-ray diffraction
1.7Å resolution

Isopenicillin N synthase in complex with Fe and Aad-Cys-[(S)-1-amino-2-methylpropane-1-sulfonic acid]

Released:
DOI: 10.2210/pdb8p7o/pdb
PDB entry 8p7o coloured by chain, front view.
PDB entry 8p7o coloured by chain, side view.
PDB entry 8p7o coloured by chain, top view.
Source organism: Aspergillus nidulans FGSC A4
Entry authors: Rabe P, Schofield CJ

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)
Assembly name:
PDBe Complex ID:
PDB-CPX-138628 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Isopenicillin N synthase Chain: A
Molecule details ›
Chain: A
Length: 331 amino acids
Theoretical weight: 37.56 KDa
Source organism: Aspergillus nidulans FGSC A4
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P05326 (Residues: 1-331; Coverage: 100%)
Gene names: AN2622, ipnA, ips
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand SO4 3 x SO4
Ligand FE 1 x FE
Ligand X5L 1 x X5L
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P212121
Unit cell:
a: 41.259Å b: 74.459Å c: 100.994Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.196 0.227
Expression system: Escherichia coli BL21(DE3)

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