› 3dan

X-ray diffraction
1.8Å resolution

Crystal Structure of Allene oxide synthase

Released:
DOI: 10.2210/pdb3dan/pdb
PDB entry 3dan coloured by chain, front view.
PDB entry 3dan coloured by chain, side view.
PDB entry 3dan coloured by chain, top view.
Source organism: Parthenium argentatum
Primary publication:
Modes of heme binding and substrate access for cytochrome P450 CYP74A revealed by crystal structures of allene oxide synthase.
Li L, Chang Z, Pan Z, Fu ZQ, Wang X
Proc Natl Acad Sci U S A 105 13883-8 (2008)
PMID: 18787124

Function and Biology Details

Reaction catalysed: 
(9Z,11E,15Z)-(13S)-hydroperoxyoctadeca-9,11,15-trienoate = (9Z,15Z)-(13S)-12,13-epoxyoctadeca-9,11,15-trienoate + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-174938 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Allene oxide synthase Chain: A
Molecule details ›
Chain: A
Length: 473 amino acids
Theoretical weight: 53.53 KDa
Source organism: Parthenium argentatum
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q40778 (Residues: 1-473; Coverage: 100%)
Gene names: CYP74A2, RPP30
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 1 x HEM
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: I422
Unit cell:
a: 113.488Å b: 113.488Å c: 163.846Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.18 0.208
Expression system: Escherichia coli BL21

Quick links

Citations

15 review citations

Heme enzyme structure and function.
Poulos TL. (2014)
14 more

3 mentions without citation

Modes of heme binding and substrate access for cytochrome P450 CYP74A revealed by crystal structures of allene oxide synthase.
Li et al. (2008)
2 more