AMINO-ACID SIDE-CHAIN PARTITION ENERGIES AND DISTRIBUTION OF RESIDUES IN SOLUBLE-PROTEINS
AMINO-ACID SIDE-CHAIN PARTITION ENERGIES AND DISTRIBUTION OF RESIDUES IN SOLUBLE-PROTEINS
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DOI：
10.1016/s0006-3495(85)83877-7
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发表时间：
1985-01-01
影响因子：
3.4
通讯作者：
GUY, HR
中科院分区：
文献类型：
--
作者：
GUY, HR
能量所需的氨基酸侧链从水转移到极性较低的环境中计算的几项研究的结果，并与可溶性蛋白质中的残基分布的几个统计分析进行比较。将蛋白质分成与其表面平行的层的分析比简单地将残留物分类为暴露或隐藏的分析更能提供信息。大多数rediues似乎是分布作为一个函数的距离从蛋白质-水界面的方式与分配能量计算的氨基酸之间的水和辛醇相的分配和从氨基酸在水，乙醇和甲醇中的溶解度。赖氨酸、精氨酸、酪氨酸和色氨酸残基倾向于集中在水-蛋白质界面附近，在那里它们的非极性侧链组分比它们的极性侧链组分被更多地掩埋。以这种方式计算的残留物分布不相关，以及与侧链溶剂化能计算从水相的侧链类似物的蒸汽压。将残留物分类为暴露于溶剂或埋在蛋白质内部的统计研究结果似乎取决于用于对残留物进行分类的方法。其中一些研究的数据与溶剂化能相关性更好，但其他数据与分配能相关性更好。大多数其他的统计方法，已被用来评估水对残留物分布的影响产生的结果，更好地与分配能比溶剂化能。
Energies required to transfer amino acid side chains from water to less polar environments were calculated from results of several studies and compared with several statistical analyses of residue distribution in soluble proteins. An analysis that divides proteins into layers parallel with their surfaces is more informative than those that simply classify residues as exposed or buried. Most rediues appear to be distributed as a function of the distance from the protein-water interface in a manner consistent with partition energies calculated from partitioning of amino acids between water and octanol phases and from solubilities of amino acids in water, ethanol, and methanol. Lys, Arg, Tyr, and Trp residues tend to concentrate near the water-protein interface where their apolar side-chain components are more buried than their polar side-chain components. Residue distribution calculated in this manner do not correlate well with side-chain solvation energies calculated from vapor pressures of side-chain analogs over a water phase. Results of statistical studies that classify residues as exposed to solvent or buried inside the protein interior appear to depend on the method used to classify residues. Data from some of these studies correlate better with solvation energies, but other data correlate better with partition energies. Most other statistical methods that have been used to evaluate effects of water on residue distributions yield results that correlate better with partition energies than with solvation energies.