What Is the Molecular-Level Role of the Solution Components in Protein Crystallization?†
What Is the Molecular-Level Role of the Solution Components in Protein Crystallization?†
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DOI：
10.1021/cg700989p
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发表时间：
2007-11
影响因子：
3.8
通讯作者：
P. Vekilov
中科院分区：
文献类型：
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作者：
P. Vekilov
缓冲液、有机和无机盐、小分子有机化合物和聚合物被添加到蛋白质溶液中，以促进蛋白质晶体的形成。为了了解这些添加剂在分子水平上的作用，我们分析了最近关于蛋白质结晶的热力学和动力学以及溶液中蛋白质分子之间相互作用的几个结果。研究结果表明，溶液中水分子围绕蛋白质分子的结构是结晶热力学的主要组成部分，对蛋白质在溶液中的分子间相互作用有重要影响，在很大程度上决定了晶体的生长动力学。不同添加剂的一个重要功能似乎是相似的：它们重新排列结构水，使结晶在热力学上可行，在动力学上可实现。在这些见解的基础上，我们制定了一个潜在的途径，理性地寻找解决方案组合。
Buffers, organic and inorganic salts, small-molecule organic compounds, and polymers are added to protein solutions to facilitate the formation of protein crystals. To understand the role that these additives play at the molecular level, we analyze several recent results on the thermodynamics and kinetics of protein crystallization and on the interactions between protein molecules in solution. The presented evidence shows that the structuring of the water molecules around the protein molecules in solution is the main component of the thermodynamics of crystallization, has a significant influence on the protein intermolecular interactions in solution, and largely determines the kinetics of growth of the crystals. It appears that an important function of the different additives is similar: they rearrange the structured water to make crystallization thermodynamically feasible and kinetically achievable. On the basis of these insights, we formulate a potential pathway toward rational search for solution compo...