PDBe 4cq6

X-ray diffraction
1.8Å resolution

The crystal structure of the allene oxide cyclase 2 from Arabidopsis thaliana with bound inhibitor - vernolic acid

Released:
Source organism: Arabidopsis thaliana
Entry authors: Terlecka BA, Pollmann S, Hofmann E

Function and Biology Details

Reaction catalysed:
(9Z)-(13S)-12,13-epoxyoctadeca-9,11,15-trienoate = (15Z)-12-oxophyto-10,15-dienoate
Biochemical function:
Cellular component:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Allene oxide cyclase 2, chloroplastic Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 188 amino acids
Theoretical weight: 20.86 KDa
Source organism: Arabidopsis thaliana
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9LS02 (Residues: 78-253; Coverage: 70%)
Gene names: AOC2, At3g25770, K13N2.11, K13N2_9
Structure domains: Allene oxide cyclase-like

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P212121
Unit cell:
a: 64.6Å b: 99.9Å c: 106.3Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.132 0.13 0.159
Expression system: Escherichia coli