胰蛋白酶中酶催化的本质。
The nature of enzyme catalysis in trypsin.
作者信息
Weiner S J, Seibel G L, Kollman P A
出版信息
Proc Natl Acad Sci U S A. 1986 Feb;83(3):649-53. doi: 10.1073/pnas.83.3.649.
Abstract
We present a combined quantum/molecular mechanical study of the trypsin-catalyzed hydrolysis of a specific tripeptide substrate, including the entire enzyme in the calculation, as well as 200 H2O molecules. The results illustrate how the enzyme and nearby H2O molecules stabilize the ionic intermediates in peptide hydrolysis, such that the reaction is calculated to have a barrier that is significantly smaller than the calculated and experimental base-catalyzed barrier of formamide hydrolysis in aqueous solution. This enables us to understand how serine proteases increase the rates for reactions that take place in their active sites, compared to the corresponding rates for analogous solution reactions.
摘要
我们展示了一项关于胰蛋白酶催化特定三肽底物水解的量子/分子力学联合研究，计算中包含了整个酶以及200个水分子。结果表明了酶和附近的水分子如何在肽水解过程中稳定离子中间体，从而计算出该反应的势垒明显小于水溶液中甲酸酰胺碱催化水解的计算势垒和实验势垒。这使我们能够理解与类似溶液反应的相应速率相比，丝氨酸蛋白酶如何提高其活性位点发生的反应速率。
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Investigation of the substrate-binding site of trypsin by the aid of tripeptidyl-p-nitroanilide substrates.借助三肽对硝基苯胺底物对胰蛋白酶的底物结合位点进行研究。
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