残留偶极耦合及其在蛋白质结构研究中的应用

Residual Dipolar Couplings and Their Applications in Determination of Protein Structures

近年来溶液中残留偶极耦合常数被用来获取生物大分子化学键之间相对取向等长程构象约束条件, 用于计算或优化蛋白质及其复合物的三维空间结构. 介绍了用异核多维NMR技术测量残留偶极耦合常数的方法, 及其在蛋白质结构计算中的一些应用: 优化蛋白质溶液结构, 评价蛋白质结构质量, 确定蛋白质结构域取向, 获取有关配体的构象和取向的信息, 在缺乏NOE数据时构建蛋白质结构等.

In recent years residual dipolar couplings have been employed to obtain the long-range conformational constraints such as the relative orientations between the chemical bonds in biomolecules for calculation or refinement of three-dimensional structures of proteins and protein complexes in solution This review describes the measurement of residual dipolar couplings using multi-dimensional NMR techniques and their applications in determination of protein structures: refining protein structures, evaluating protein structures, determining the relative orientation between protein domains, obtaining information about ligand conformation and orientation, etc