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Molecular orbital study on the reaction mechanism of irreversible enzyme inhibitors

โœ Scribed by Nagata, Chikayoshi; Yamaguchi, Tamie


Book ID
126261804
Publisher
American Chemical Society
Year
1979
Tongue
English
Weight
546 KB
Volume
22
Category
Article
ISSN
0022-2623

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Ab initio and semiempirical (AMl) molecular orbital theory has been used to model the cleavage of formamide at the active site of carboxypeptidase A. The model active site consists of a zinc dication coordinated to two imidazoles, an acetate, a water with a hydrogen-bonded formate, and a formamide m