Water Determines the Structure and Dynamics of Proteins.

Water Determines the Structure and Dynamics of Proteins.
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DOI:
10.1021/acs.chemrev.5b00664
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发表时间:
2016-07-13
期刊:
影响因子:
62.1
通讯作者:
Garcia AE
Garcia AE
中科院分区:
化学1区
文献类型:
--
作者:
Bellissent-Funel MC;Hassanali A;Havenith M;Henchman R;Pohl P;Sterpone F;van der Spoel D;Xu Y;Garcia AE

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水是蛋白质和其他生物分子的稳定性,结构,动力学和功能的重要参与者。在热力学上,水性环境的变化会影响生物分子的稳定性。从结构上讲,水通过疏水性塌陷折叠过程中蛋白质和核酸的催化功能,并在蛋白质链的崩溃中进行了物理参与,并在复杂形成中介导了通过氢键通过氢键结合的蛋白质链。水是奴役蛋白质动力学的伴侣,与蛋白质的水相互作用会影响其动力学。在这里,我们对过去十年来了解水在蛋白质的动态,结构和功能中的作用方面的实验和计算进步进行了回顾。我们专注于X射线和中子晶体学,NMR,Terahertz光谱,质谱,热力学和计算机模拟的组合,以揭示水如何帮助蛋白质的功能。计算机模拟的最新进展以及实验工具的灵敏度增强,有望在理解蛋白质动力学方面取得重大进展,并且水肯定是主角。
Water is an essential participant in the stability, structure, dynamics, and function of proteins and other biomolecules. Thermodynamically, changes in the aqueous environment affect the stability of biomolecules. Structurally, water participates chemically in the catalytic function of proteins and nucleic acids and physically in the collapse of the protein chain during folding through hydrophobic collapse and mediates binding through the hydrogen bond in complex formation. Water is a partner that slaves the dynamics of proteins, and water interaction with proteins affect their dynamics. Here we provide a review of the experimental and computational advances over the past decade in understanding the role of water in the dynamics, structure, and function of proteins. We focus on the combination of X-ray and neutron crystallography, NMR, terahertz spectroscopy, mass spectroscopy, thermodynamics, and computer simulations to reveal how water assist proteins in their function. The recent advances in computer simulations and the enhanced sensitivity of experimental tools promise major advances in the understanding of protein dynamics, and water surely will be a protagonist.
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