On the role of short and strong hydrogen bonds on the mechanism of action of a model chymotrypsine active site.
作者： German Miño , Renato Contreras
DOI: 10.1021/JP902756X
关键词:
摘要: The electronic properties of a chemical model that mimics the His-57...Asp-102 catalytic residues alpha- chymotrypsine during transition from normal hydrogen bond to short and strong hydrogen-bond regimes are presented. results suggest upon global external stimulus induced by compression, system response is transfer nucleophilic reactivity Asp-102 moiety toward His-57 fragment in hydrogen-bonded complex. In this way, effect may be consistently explained on basis pair site framed second-order static density function.
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