Entropy drives the formation of salt bridges in the protein GB3

doi:10.1002/anie.201702968

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	Entropy drives the formation of salt bridges in the protein GB3
	Ning Zhang,; Yefei Wang,; Liaoyuan An ; Xiangfei Song ; Qingshan Huang,; Zhijun Liu ; Lishan Yao
刊名	Angewandte Chemie International Edition
	2017-06-19
卷号	56 期号:26 页码:7601-7604
关键词	Enthalpy Entropy Nmr Spectroscopy Protein Structures Salt Bridges
DOI	10.1002/anie.201702968
产权排序	(1)Shandong Provincial Key Laboratory of Synthetic Biology Qingdao Institute of Bioenergy and Bioprocess Technology University of Chinese Academy of Sciences;(2)Department National Center for Protein Science Shanghai, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences
文献子类	Article
英文摘要	Salt bridges are very common in proteins. But what drives the formation of protein salt bridges is not clear. In this work, we determined the strength of four salt bridges in the protein GB3 by measuring the DpKa values of the basic residues that constitute the salt bridges with a highly accurate NMR titration method at different temperatures. The results show that the DpKa values increase with temperature, thus indicating that the salt bridges are stronger at higher temperatures. Fitting of DpKa values to the vanQt Hoff equation yields positive DH and DS values, thus indicating that entropy drives salt-bridge formation. Molecular dynamics simulations show that the protein and solvent make opposite contributions to DH and DS. Specifically, the enthalpic gain contributed from the protein is more than offset by the enthalpic loss contributed from the solvent, whereas the entropic gain originates from the desolvation effect.
WOS关键词	enthalpy ; entropy ; NMR spectroscopy ; protein structures ; salt bridges
WOS研究方向	Chemistry, Multidisciplinary
项目编号	31661143036 ; 31600051 ; 21376254 ; 31600690
语种	英语
WOS记录号	WOS:000403017000048
资助机构	National Natural Science Foundation of China
内容类型	期刊论文
源URL	[http://ir.qibebt.ac.cn/handle/337004/9710]
专题	青岛生物能源与过程研究所_仿真模拟团队
通讯作者	Lishan Yao
作者单位	1.Shandong Provincial Key Laboratory of Synthetic Biology Qingdao Institute of Bioenergy and Bioprocess Technology University of Chinese Academy of Sciences 2.Department National Center for Protein Science Shanghai, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences
推荐引用方式 GB/T 7714	Ning Zhang,,Yefei Wang,,Liaoyuan An,et al. Entropy drives the formation of salt bridges in the protein GB3[J]. Angewandte Chemie International Edition,2017,56(26):7601-7604.
APA	Ning Zhang,.,Yefei Wang,.,Liaoyuan An.,Xiangfei Song.,Qingshan Huang,.,...&Lishan Yao.(2017).Entropy drives the formation of salt bridges in the protein GB3.Angewandte Chemie International Edition,56(26),7601-7604.
MLA	Ning Zhang,,et al."Entropy drives the formation of salt bridges in the protein GB3".Angewandte Chemie International Edition 56.26(2017):7601-7604.