› 5fp0

X-ray diffraction
2.35Å resolution

ligand complex structure of soluble epoxide hydrolase

Released:
DOI: 10.2210/pdb5fp0/pdb
PDB entry 5fp0 coloured by chain, front view.
PDB entry 5fp0 coloured by chain, side view.
PDB entry 5fp0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Fragment Screening of Soluble Epoxide Hydrolase for Lead Generation-Structure-Based Hit Evaluation and Chemistry Exploration.
Xue Y, Olsson T, Johansson CA, Öster L, Beisel HG, Rohman M, Karis D, Bäckström S
ChemMedChem 11 497-508 (2016)
PMID: 26845235

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: 549 amino acids
Theoretical weight: 62 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P34913 (Residues: 1-548; Coverage: 99%)
Gene name: EPHX2
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand DMS 1 x DMS
Ligand SZC 1 x SZC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P6522
Unit cell:
a: 92.51Å b: 92.51Å c: 244.83Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.173 0.17 0.23
Expression system: Spodoptera frugiperda

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Citations

1 review citation

Prospective for cytochrome P450 epoxygenase cardiovascular and renal therapeutics.
Imig JD. (2018)
8 other articles