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Structure paper

TitleEngineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 111, Page 15717-15722, Year 2014
Publish dateJan 7, 2013 (structure data deposition date)
AuthorsKong, X.D. / Yuan, S. / Li, L. / Chen, S. / Xu, J.H. / Zhou, J.H.
External linksProc. Natl. Acad. Sci. USA / PubMed:25331869
MethodsX-ray diffraction
Resolution1.7 - 2.9 Å
Structure data

PDB-4inz:
The crystal structure of M145A mutant of an epoxide hydrolase from Bacillus megaterium
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-4io0:
Crystal structure of F128A mutant of an epoxide hydrolase from Bacillus megaterium complexed with its product (R)-3-[1]naphthyloxy-propane-1,2-diol
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-4nzz:
Crystal structure of epoxide hydrolase from bacillus megaterium
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-4o08:
Crystal structure of bacillus megaterium epoxide hydrolase in complex with an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

ChemComp-SO4:
SULFATE ION

ChemComp-RN1:
(2R)-3-(naphthalen-1-yloxy)propane-1,2-diol

ChemComp-PO6:
2-phenoxyacetamide

Source
  • bacillus megaterium (bacteria)
KeywordsHYDROLASE / a/b hydrolase fold / enzymatic resolution / epoxide hydrolase / HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR COMPLEX

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