MO-Studies of enzyme reaction mechanisms
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Alexander Alex; Timothy Clark
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Article
📅
1992
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John Wiley and Sons
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English
⚖ 930 KB
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