› 8a4g

X-ray diffraction
1.97Å resolution

IPNS H270E variant in complex with Cd and ACV

Released:
DOI: 10.2210/pdb8a4g/pdb
PDB entry 8a4g coloured by chain, front view.
PDB entry 8a4g coloured by chain, side view.
PDB entry 8a4g 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: 37.55 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

5 bound ligands:
Ligand GOL 1 x GOL
Ligand CD 1 x CD
Ligand SO4 4 x SO4
Ligand ACV 1 x ACV
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P212121
Unit cell:
a: 41.08Å b: 74.07Å c: 101.27Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.219 0.217 0.254
Expression system: Escherichia coli BL21(DE3)

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