› 4od0

X-ray diffraction
2.92Å resolution

Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea

Released:
DOI: 10.2210/pdb4od0/pdb
PDB entry 4od0 coloured by chain, front view.
PDB entry 4od0 coloured by chain, side view.
PDB entry 4od0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy.
Lee KS, Liu JY, Wagner KM, Pakhomova S, Dong H, Morisseau C, Fu SH, Yang J, Wang P, Ulu A, Mate CA, Nguyen LV, Hwang SH, Edin ML, Mara AA, Wulff H, Newcomer ME, Zeldin DC, Hammock BD
OpenAccess logo J Med Chem 57 7016-30 (2014)
PMID: 25079952

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-543163 (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 2RV 1 x 2RV
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CAMD BEAMLINE GCPCC
Spacegroup: P6522
Unit cell:
a: 92.136Å b: 92.136Å c: 243.354Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.196 0.193 0.252
Expression system: Spodoptera frugiperda

Quick links

Citations

11 review citations

Soluble epoxide hydrolase as a therapeutic target for pain, inflammatory and neurodegenerative diseases.
Wagner et al. (2017)
10 more

5 mentions without citation

Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy.
Lee et al. (2014)
4 more