› 6i5g

X-ray diffraction
2Å resolution

X-ray structure of human soluble Epoxide Hydrolase C-terminal Domain (hsEH CTD)in complex with 15d-PGJ2

Released:
DOI: 10.2210/pdb6i5g/pdb
PDB entry 6i5g coloured by chain, front view.
PDB entry 6i5g coloured by chain, side view.
PDB entry 6i5g coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
15-deoxy-Δ12,14-Prostaglandin J2 inhibits human soluble epoxide hydrolase by a dual orthosteric and allosteric mechanism.
Abis G, Charles RL, Kopec J, Yue WW, Atkinson RA, Bui TTT, Lynham S, Popova S, Sun YB, Fraternali F, Eaton P, Conte MR
Commun Biol 2 188 (2019)
PMID: 31123712

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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 344 amino acids
Theoretical weight: 39.55 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P34913 (Residues: 230-555; Coverage: 59%)
Gene name: EPHX2
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
Ligand EDO 12 x EDO
Ligand PTG 2 x PTG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Unit cell:
a: 89.49Å b: 79.992Å c: 104.544Å
α: 90° β: 96.78° γ: 90°
R-values:
R R work R free
0.174 0.172 0.217
Expression system: Escherichia coli

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Citations

3 review citations

Nrf2-A Molecular Target for Sepsis Patients in Critical Care.
Gunne et al. (2020)
2 more