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Structure paper

TitleStructural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 140, Page 310-318, Year 2018
Publish dateSep 1, 2017 (structure data deposition date)
AuthorsSun, Z. / Wu, L. / Bocola, M. / Chan, H.C.S. / Lonsdale, R. / Kong, X.D. / Yuan, S. / Zhou, J. / Reetz, M.T.
External linksJ. Am. Chem. Soc. / PubMed:29232125
MethodsX-ray diffraction
Resolution2.3 - 2.611 Å
Structure data

PDB-5yao:
The complex structure of SZ529 and expoxid
Method: X-RAY DIFFRACTION / Resolution: 2.611 Å

PDB-5yng:
Crystal structure of SZ348 in complex with cyclopentene oxide
Method: X-RAY DIFFRACTION / Resolution: 2.497 Å

PDB-5yqt:
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-3ZS:
(1R,5S)-6-oxabicyclo[3.1.0]hexane

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-K:
Unknown entry

ChemComp-NI:
NICKEL (II) ION

Source
  • rhodococcus erythropolis (bacteria)
KeywordsHYDROLASE / epoxide / stereoselective / mutant / epoxide hydrolase / cyclopentene oxide

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