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Structure paper

TitleStructural Basis for the Enantioselectivity of an Epoxide Ring Opening Reaction Catalyzed by Halo Alcohol Dehalogenase HheC.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 127, Page 13338-13343, Year 2005
Publish dateMay 10, 2005 (structure data deposition date)
Authorsde Jong, R.M. / Tiesinga, J.J.W. / Villa, A. / Tang, L. / Janssen, D.B. / Dijkstra, B.W.
External linksJ. Am. Chem. Soc. / PubMed:16173767
MethodsX-ray diffraction
Resolution1.7 - 1.9 Å
Structure data

PDB-1zmt:
Structure of haloalcohol dehalogenase HheC of Agrobacterium radiobacter AD1 in complex with (R)-para-nitro styrene oxide, with a water molecule in the halide-binding site
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-1zo8:
X-ray Structure of the haloalcohol dehalogenase HheC of Agrobacterium radiobacter AD1 in complex with (S)-para-nitrostyrene oxide, with a water molecule in the halide-binding site
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-RNO:
(R)-PARA-NITROSTYRENE OXIDE

ChemComp-HOH:
WATER

ChemComp-SNO:
(S)-PARA-NITROSTYRENE OXIDE

Source
  • agrobacterium tumefaciens (bacteria)
KeywordsLYASE / haloalcohol dehalogenase / halohydrin dehalogenase / epoxide catalysis / enantioselectivity / short-chain dehydrogenase/reductase

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