在酸中对 PPII 构成的邻居作用
Kang Chen1, Zhigang Liu, Chunhui Zhou
1Department of Chemistry, New York University, 100 Washington Square East, New York, New York 10003, USA.
邻近的氨基酸侧链显著影响结构. 像异黄素这样的大量残留物降低了氨酸中的聚二 (PPII) 含量,挑战了孤立对模型.
科学领域:
- 结构生物学 结构生物学
- 生物物理学的生物物理.
- 计算化学的计算化学
背景情况:
- 聚二烯II (PPII) 形状在短的氨酸寡合体中普遍存在.
- 以前的研究表明,水中的PPII结构是局部决定的,这与Flory对氨酸的孤立对假设一致.
- 已知β分支或重的芳香残留物会影响相邻的残留物Phi角.
研究的目的:
- 直接调查邻居效应对短阿拉宁模型中的PPII构成.
- 量化特定残留物 (诺莱素,异莱素) 对探针氨酸残留物PPII含量的影响.
主要方法:
- 模型的合成和分析:GGAAAGG,GGLnALnGG (Ln=诺莱素),GGIAAGG,以及GGIAIGG.
- 远紫外线循环二极化 (CD) 光谱法,以评估二次结构含量.
- 核磁共振 (NMR) 3JαN合常数和H-D交换测量以探测局部构造和动态.
主要成果:
- 与氨酸或氨酸相比,异黄素显著降低了探针氨酸侧链的PPII含量.
- 观察到的自由能量差异与静电溶解自由能量 (ESF) 计算中的预测一致.
- 数据直接证明了邻近残留物对PPII倾向的影响.
结论:
- 邻近的残留物效应至关重要,必须纳入预测PPII倾向的模型.
- 对于带有体或β分支侧链的,孤立对假设是不够的.
- 了解这些邻居效应对于准确的结构预测至关重要.
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