核磁共振、X射线小角散射以及计算机模拟相结合构建生物大分子复合物的结构模型（英文）  

Determining Structural Models of Biomolecular Complexes Integrating Nuclear Magnetic Resonance, Small-Angle X-ray Scattering and Computational Simulations

作　　者：彭俊辉 赵德彪[1] 文彬[1] 张志勇[1] 

机构地区：[1]合肥微尺度国家实验室,中国科学技术大学生命科学学院,合肥230026

出　　处：《波谱学杂志》2015年第2期181-194,共14页Chinese Journal of Magnetic Resonance

基　　金：The National Key Basic Research Program of China(2013CB910203);the National Natural Science Foundation of China(31270760);the Strategic Priority Research Program of the Chinese Academy of Sciences(XDB08030102);the Specialized Research Fund for the Doctoral Program of Higher Education(20113402120013)

摘　　要：近年来,结构生物学研究越来越注重生物大分子复合物的解析,因为许多重要生物学过程都离不开复合物的参与.溶液核磁共振是目前重要的结构解析方法之一.X射线小角散射(SAXS)作为一种新的结构生物学实验手段,近年来发展迅速.SAXS能提供生物大分子复合物的较低分辨率结构信息,而核磁共振能解析复合物中各个亚基的原子分辨率结构.此外,通过核磁共振还能得到亚基之间的界面、取向以及距离信息.因此近年来通过计算机模拟,整合核磁共振和SAXS不同分辨率的结构信息,可以用来搭建生物大分子复合物的结构模型.该综述重点介绍这方面的研究进展.Structural biology has been paying more attention on biomolecular complexes over the past decades, since they are crucial for many biological processes. Among these techniques for structural determination, nuclear magnetic resonance （NMR） has its advantage when dealing with biomolecules with high flexibility in solution. Small-angle X-ray scattering （SAXS） is a very important complementary technique that provides information on global shape of biomolecules. For biomolecular complexes, it can be much easier to determine atomic structures of individual subunits through NMR. In addition, NMR can also provide other structural information, such as the interface and orientations between subunits, and long range distance and angular restraints. Therefore, to construct structural models of biomolecular complexes, it would be very appropriate to combine experimental restraints obtained through NMR and low-resolution shape information from SAXS by utilizing computational tools, which is the main topic of this review.

关 键 词：核磁共振(NMR) X射线小角散射(SAXS) 生物大分子复合物 计算机模拟 

分 类 号：O482.53[理学—固体物理]