› 4j03

X-ray diffraction
2.92Å resolution

Crystal structure of human soluble epoxide hydrolase complexed with fulvestrant

Released:
DOI: 10.2210/pdb4j03/pdb
PDB entry 4j03 coloured by chain, front view.
PDB entry 4j03 coloured by chain, side view.
PDB entry 4j03 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Inhibition of soluble epoxide hydrolase by fulvestrant and sulfoxides.
Morisseau C, Pakhomova S, Hwang SH, Newcomer ME, Hammock BD
Bioorg Med Chem Lett 23 3818-21 (2013)
PMID: 23684894

Function and Biology Details

Reactions catalysed: 
(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoate + H(2)O = (9S,10S)-9,10-dihydroxyoctadecanoate + phosphate
An epoxide + H(2)O = a glycol
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152745 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional epoxide hydrolase 2 Chain: A
Molecule details ›
Chain: A
Length: 555 amino acids
Theoretical weight: 62.69 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P34913 (Residues: 1-555; Coverage: 100%)
Gene name: EPHX2
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand PO4 1 x PO4
Ligand MG 1 x MG
Ligand FVS 1 x FVS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CAMD BEAMLINE GCPCC
Spacegroup: P6522
Unit cell:
a: 92.507Å b: 92.507Å c: 243.811Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.191 0.188 0.25
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

Cytochrome P450 epoxygenase pathway of polyunsaturated fatty acid metabolism.
Spector et al. (2015)
2 more

2 mentions without citation

Distribution of single-nucleotide variants on protein-protein interaction sites and its relationship with minor allele frequency.
Nishi et al. (2016)
1 more