› 4qwt

X-ray diffraction
2Å resolution

Anaerobic crystal structure of delta413-417:GS LOX in complex with arachidonate

Released:
DOI:
PDB entry 4qwt coloured by chain, front view.
PDB entry 4qwt coloured by chain, side view.
PDB entry 4qwt coloured by chain, top view.
Source organism: Plexaura homomalla
Primary publication:
Crystal structure of a lipoxygenase in complex with substrate: the arachidonic acid-binding site of 8R-lipoxygenase.
Neau DB, Bender G, Boeglin WE, Bartlett SG, Brash AR, Newcomer ME
J Biol Chem 289 31905-31913 (2014)
PMID: 25231982

Function and Biology Details

Reaction catalysed: 
Arachidonate + O(2) = (5Z,9E,11Z,14Z)-(8R)-8-hydroperoxyicosa-5,9,11,14-tetraenoate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-127557 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Allene oxide synthase-lipoxygenase protein Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 696 amino acids
Theoretical weight: 79.41 KDa
Source organism: Plexaura homomalla
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O16025 (Residues: 374-1066; Coverage: 65%)
Sequence domains:
Structure domains:

Ligands and Environments

6 bound ligands:
Ligand FE2 4 x FE2
Ligand CA 8 x CA
Ligand ACT 25 x ACT
Ligand GOL 17 x GOL
Ligand CL 6 x CL
Ligand ACD 1 x ACD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: P21
Unit cell:
a: 104.03Å b: 170.67Å c: 104.72Å
α: 90° β: 95.36° γ: 90°
R-values:
R R work R free
0.162 0.162 0.216
Expression system: Escherichia coli BL21(DE3)

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Citations

5 review citations

Ivanov et al. (2015)
4 more

11 mentions without citation

Newcomer et al. (2015)
10 more