在2:1和1:2α/β中螺旋二次结构的结晶学表征
Soo Hyuk Choi1, Ilia A Guzei, Lara C Spencer
1Department of Chemistry, University of Wisconsin, Madison, Wisconsin 53706, USA.
Journal of the American Chemical Society
|February 11, 2009
概括
具有2:1和1:2残留模式的α/β采用特定的螺旋结构. 结晶学数据证实,这些折叠模主要形成i,i+3联螺旋体,扩大了折叠模设计的可能性.
科学领域:
- 的化学和结构生物学.
- 折叠机的研究和设计.
- 超分子化学 超分子化学
背景情况:
- 含有α-和β-氨基酸残留物的α/β-是有前途的折叠分子.
- 研究主要集中在1:1α:β模式上,其他组合未被充分探索.
- 受到约束的β-残留物,如转-2-氨基cyclopentanecarboxylic 酸 (ACPC),促进螺旋式折叠.
研究的目的:
- 为了研究2:1和1:2α:β残留模式的α/β-的折叠行为.
- 确定这些折叠材料采用的主要螺旋形状.
- 为新型折叠机背骨提供结构定义.
主要方法:
- 合成和结构分析的阿尔法/β-寡合物.
- 用X射线晶体学来确定高分辨率结构.
- 2D核磁共振 (NMR) 光谱仪用于初始形状分析.
主要成果:
- 确定了4种新的2:1α/β (5-11个残留物) 和6种1:2α/β (6-10个残留物) 的晶体结构.
- 所有10个新分析的结构都表现出完全螺旋形状.
- 观察到的占主导地位的次要结构是i,i+3 CO...H-N脊柱结模式.
结论:
- 具有2:1和1:2残留模式的α/β-,特别是具有受约束β-残留的,更喜欢i,i+3螺旋结构.
- 结晶学数据为这些折叠体形状提供了明确的结构见解.
- 这项工作扩大了对折叠机结构多样性和设计原则的理解.
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