› 4wha

X-ray diffraction
1.7Å resolution

Lipoxygenase-1 (soybean) L546A/L754A mutant

Released:
DOI: 10.2210/pdb4wha/pdb
PDB entry 4wha coloured by chain, front view.
PDB entry 4wha coloured by chain, side view.
PDB entry 4wha coloured by chain, top view.
Source organism: Glycine max
Primary publication:
Extremely elevated room-temperature kinetic isotope effects quantify the critical role of barrier width in enzymatic C-H activation.
Hu S, Sharma SC, Scouras AD, Soudackov AV, Carr CA, Hammes-Schiffer S, Alber T, Klinman JP
J Am Chem Soc 136 8157-60 (2014)
PMID: 24884374

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139953 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Seed linoleate 13S-lipoxygenase-1 Chain: A
Molecule details ›
Chain: A
Length: 839 amino acids
Theoretical weight: 94.44 KDa
Source organism: Glycine max
Expression system: Escherichia coli
UniProt:
  • Canonical: P08170 (Residues: 1-839; Coverage: 100%)
Gene names: LOX1, LOX1.1
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand FE 1 x FE
Ligand EDO 7 x EDO
Ligand ACT 8 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P21
Unit cell:
a: 94.126Å b: 92.644Å c: 49.572Å
α: 90° β: 90.34° γ: 90°
R-values:
R R work R free
0.138 0.137 0.179
Expression system: Escherichia coli

Quick links

Citations

7 review citations

Atom Tunneling in Chemistry.
Meisner et al. (2016)
6 more

2 mentions without citation

13C ENDOR Spectroscopy of Lipoxygenase-Substrate Complexes Reveals the Structural Basis for C-H Activation by Tunneling.
Horitani et al. (2017)
1 more