在平衡状态下围绕结构蛋白表面的空间异质表面水的扩散性
Ryan Barnes1, Sheng Sun1, Yann Fichou1
1Department of Chemistry and Biochemistry, University of California, Santa Barbara , Santa Barbara, California 93106, United States.
Journal of the American Chemical Society
|November 2, 2017
概括
化水的动态在蛋白质表面上有所不同,而疏水区域显示较慢的水扩散. 这种异质性表明蛋白质在其水化中编码信息.
科学领域:
- 生物物理
- 物理化学
- 结构生物学
背景情况:
- 水对于蛋白质与配体的相互作用至关重要.
- 了解水的作用需要对蛋白质表面的动态进行探测.
- 水的局部特性是蛋白质功能的关键.
研究的目的:
- 在蛋白质表面研究特定位点的水化水力学.
- 将水的动态与当地的蛋白质表面属性相关联.
- 为了比较不同生物分子表面的水动力学.
主要方法:
- 通过Overhauser动态核极化 (ODNP) 来探测水的动态.
- 分子动力学 (MD) 模拟以确定蛋白质表面水变性.
- 用于目标测量的特定地点标签.
主要成果:
- 化水的动态 (扩散水) 在Chemotaxis Y (CheY) 蛋白表面是异质的.
- 较慢的水扩散与较多的疏水性蛋白质表面位相相关.
- 球状蛋白比IDP,和脂质体具有更多的异质水动力学.
结论:
- 蛋白质表面结构决定了局部水化水的动态.
- 结构蛋白可以在它们的水化中编码信息.
- 水异质性是蛋白质生物物理学的一个基本方面.
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