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动力学在底物辅助催化及特异性中的重要性。

The importance of dynamics in substrate-assisted catalysis and specificity.

作者信息

Xu Qin, Guo Haobo, Wlodawer Alexander, Guo Hong

机构信息

Department of Biochemistry and Cellular and Molecular Biology, and Center of Excellence for Structural Biology, University of Tennessee, Knoxville, Tennessee 37996, USA.

出版信息

J Am Chem Soc. 2006 May 10;128(18):5994-5. doi: 10.1021/ja058831y.

DOI:10.1021/ja058831y
PMID:16669642
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2530918/
Abstract

The QM/MM MD and free energy simulations show that the dynamics involving a His residue at the P1 site of the substrate may play an important role in substrate-assisted catalysis and specificity for a serine-carboxyl peptidase.

摘要

量子力学/分子力学分子动力学（QM/MM MD）和自由能模拟表明，涉及底物P1位点组氨酸残基的动力学可能在丝氨酸羧肽酶的底物辅助催化和特异性中发挥重要作用。

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1.2 A crystal structure of the serine carboxyl proteinase pro-kumamolisin; structure of an intact pro-subtilase.1.2 丝氨酸羧基蛋白酶原库马莫利辛的晶体结构；完整枯草杆菌蛋白酶原的结构。
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