Non-enzymatic and enzymatic hydrolysis of alkyl halides: A haloalkane dehalogenation enzyme evolved to stabilize the gas-phase transition state of an S(N)2 displacement reaction

The semiempirical PM3 method, calibrated against ab initio HF/6–31+G(d) theory, has been used to elucidate the reaction of 1,2-dichloroethane (DCE) with the carboxylate of Asp-124 at the active site of haloalkane dehalogenase of Xanthobacter autothropicus. Asp-124 and 13 other amino acid side chains...

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Detalhes bibliográficos

Publicado no:	Proc Natl Acad Sci U S A
Principais autores:	Lightstone, Felice C., Zheng, Ya-Jun, Maulitz, Andreas H., Bruice, Thomas C.
Formato:	Artigo
Idioma:	Inglês
Publicado em:	National Academy of Sciences 1997
Assuntos:	Biological Sciences
Acesso em linha:	https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC22940/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/9237991/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.94.16.8417
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