› 8aun

X-ray diffraction
1.49Å resolution

OPR3 Y370F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate

Released:
DOI: 10.2210/pdb8aun/pdb
PDB entry 8aun coloured by chain, front view.
PDB entry 8aun coloured by chain, side view.
PDB entry 8aun coloured by chain, top view.
Source organism: Solanum lycopersicum
Primary publication:
Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Breukelaar WB, Polidori N, Singh A, Daniel B, Glueck SM, Gruber K, Kroutil W
OpenAccess logo ACS Catal 13 2610-2618 (2023)
PMID: 36846821

Function and Biology Details

Reaction catalysed: 
8-((1R,2R)-3-oxo-2-((Z)-pent-2-enyl)cyclopentyl)octanoate + NADP(+) = (15Z)-12-oxophyto-10,15-dienoate + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-190308 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
12-oxophytodienoate reductase 3 Chains: A, B
Molecule details ›
Chains: A, B
Length: 404 amino acids
Theoretical weight: 44.63 KDa
Source organism: Solanum lycopersicum
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9FEW9 (Residues: 1-396; Coverage: 100%)
Gene name: OPR3
Sequence domains: NADH:flavin oxidoreductase / NADH oxidase family

Ligands and Environments


Cofactor: Ligand FMN 2 x FMN
4 bound ligands:
Ligand L9I 2 x L9I
Ligand EDO 7 x EDO
Ligand PGE 1 x PGE
Ligand PEG 1 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE MASSIF-3
Spacegroup: P21
Unit cell:
a: 49.312Å b: 92.833Å c: 90.151Å
α: 90° β: 99.322° γ: 90°
R-values:
R R work R free
0.158 0.158 0.176
Expression system: Escherichia coli BL21(DE3)

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