对各种类型的含有芳香氨基酸的键进行比较
Steve Scheiner1, Tapas Kar, Jayasree Pattanayak
1Department of Chemistry & Biochemistry, Utah State University, Logan, Utah 84322-0300, USA.
Journal of the American Chemical Society
|October 31, 2002
概括
芳香氨基酸,如胺和三,形成强键. 这些相互作用,包括常规的OH..pi和CH..O键,对于稳定蛋白质结构至关重要.
科学领域:
- 生物化学 生物化学
- 计算化学计算化学
- 结构生物学 结构生物学
背景情况:
- 氨基酸侧链在蛋白质结构和功能中起着至关重要的作用.
- 键是生物分子中一个关键的非共价相互作用.
- 芳香氨基酸 (氨酸,氨酸,氨酸,氨酸,氨酸,氨酸) 具有独特的电子特性.
研究的目的:
- 为了比较芳香氨基酸侧链的结能力.
- 为了研究不同类型的键:传统的,OH..pi,和CH..O.
- 确定这些相互作用的相对强度及其对蛋白质稳定性的贡献.
主要方法:
- 使用ab initio计算来建模相互作用.
- 通过其核心芳香结构来表示氨基酸:,,,,和伊米达.
- 分析各种捐赠者-接受者对的键能量.
主要成果:
- 丁和氨酸形成了最强的传统键 (例如,OH..O,OH..N).
- 托方表现出最强的OH..pi相互作用,其次是histidine,tyrosine和phenylalanine.
- CH..O 相互作用对西斯蒂丁和二具有重要意义,特别是在质子化形式.
结论:
- 芳香氨基酸所形成的键的类型和强度差异很大.
- 丁和三在通过多种键稳定蛋白质结构方面发挥着特别重要的作用.
- 伊斯蒂丁的质子化增强了其结能力,影响了蛋白质的动态.
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