› 6yl4

X-ray diffraction
2Å resolution

Soluble epoxide hydrolase in complex with 3-((R)-3-(1-hydroxyureido)but-1-yn-1-yl)-N-((S)-3-phenyl-3-(4-trifluoromethoxy)phenyl)propyl)benzamide

Released:
DOI: 10.2210/pdb6yl4/pdb
PDB entry 6yl4 coloured by chain, front view.
PDB entry 6yl4 coloured by chain, side view.
PDB entry 6yl4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design, Synthesis, and Structure-Activity Relationship Studies of Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase.
Hiesinger K, Kramer JS, Beyer S, Eckes T, Brunst S, Flauaus C, Wittmann SK, Weizel L, Kaiser A, Kretschmer SBM, George S, Angioni C, Heering J, Geisslinger G, Schubert-Zsilavecz M, Schmidtko A, Pogoryelov D, Pfeilschifter J, Hofmann B, Steinhilber D, Schwalm S, Proschak E
J Med Chem 63 11498-11521 (2020)
PMID: 33044073

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:
  • not assigned
Cellular component:
  • not assigned
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: 346 amino acids
Theoretical weight: 39.65 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P34913 (Residues: 219-219, 222-555; Coverage: 60%)
Gene name: EPHX2
Sequence domains: alpha/beta hydrolase fold

Ligands and Environments

1 bound ligand:
Ligand OWW 1 x OWW
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: I222
Unit cell:
a: 79.934Å b: 92.238Å c: 106.646Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.185 0.184 0.207
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 citation in other articles

Chronic exposure to traffic-related air pollution reduces lipid mediators of linoleic acid and soluble epoxide hydrolase in serum of female rats.
Liang et al. (2022)
1 more

2 mentions without citation

Quinazoline-4(3H)-one-7-carboxamide Derivatives as Human Soluble Epoxide Hydrolase Inhibitors with Developable 5-Lipoxygenase Activating Protein Inhibition.
Turanlı et al. (2022)
1 more