蛋白质分子核磁共振谱峰的特性及其化学位移归属

doi:10.11938/cjmr20170202

波谱学杂志 ›› 2017, Vol. 34 ›› Issue (2): 137-147.doi: 10.11938/cjmr20170202

蛋白质分子核磁共振谱峰的特性及其化学位移归属

李双利^1,2, 朱勤俊¹, 刘买利¹, 杨运煌¹

1. 波谱与原子分子物理国家重点实验室, 武汉磁共振中心(中国科学院武汉物理与数学研究所), 湖北武汉 430071;
2. 中国科学院大学, 北京 100049

收稿日期:2016-01-25 修回日期:2017-04-17 出版日期:2017-06-05 发布日期:2017-06-05
通讯作者: 杨运煌,Tel:027-87199541,E-mail:yang_yh@wipm.ac.cn. E-mail:yang_yh@wipm.ac.cn
基金资助:
国家自然科学基金资助项目（21575155）.

Characteristics of Protein NMR Resonances and Chemical Shift Assignments

LI Shuang-li^1,2, ZHU Qing-jun¹, LIU Mai-li¹, YANG Yun-huang¹

1. State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, National Center for Magnetic Resonance in Wuhan(Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences), Wuhan 430071, China;
2. University of Chinese Academy of Sciences, Beijing 100049, China

Received:2016-01-25 Revised:2017-04-17 Online:2017-06-05 Published:2017-06-05

摘要/Abstract

摘要： 尽可能完全、准确地归属蛋白质分子的核磁共振（Nuclear Magnetic Resonance,NMR）谱峰，是解析可信赖、高质量的蛋白质三维空间溶液结构的首要条件．自动归属软件的开发和应用，已经方便并加快了蛋白质分子核磁共振谱峰的归属进程．然而，对蛋白质核磁共振研究领域的新手来说，因为缺乏对蛋白质分子的核磁共振谱峰特性的系统认识而可能发生对自动归属结果的错误指认或指认不完全，从而导致蛋白质结构解析的错误或偏差．该文针对蛋白质分子中的核磁共振谱峰特性，比如同位素效应和立体异构等，结合具体的蛋白质分子的核磁共振实验图谱，进行了较为详尽的论述，期望对从事蛋白质核磁共振的研究者在理解蛋白质分子的核磁共振谱峰特性及其归属方面有所裨益．

关键词: 蛋白质, 化学位移归属, 液体核磁共振(liquid NMR), 谱峰特性

Abstract: Complete and correct chemical shift assignments of NMR resonances are critical to obtain a reliable and high-quality three-dimensional protein structure with liquid NMR spectroscopy. For experts in the field, the use of auto-assignment software programs can facilitate and expedite the process of protein resonance assignments. However, correct understanding and application of the auto-assignment results can be challenging for those who are new to the field and without sufficient knowledge of NMR resonance characteristics of the atoms in a protein. Incomplete or wrong chemical shift assignments will lead to deviations or even mistakes in the calculation of protein structure. In attempt to provide a better understanding of protein NMR resonances and chemical shift assignments for those are new to this field, we reviewed protein NMR resonance characteristics, such as isotope effect and conformational stereoisomer, in this paper. Examples were given to facilitate understanding.

Key words: protein, resonance characteristics, chemical shift assignment, liquid NMR

中图分类号:

O482.53

李双利, 朱勤俊, 刘买利, 杨运煌. 蛋白质分子核磁共振谱峰的特性及其化学位移归属[J]. 波谱学杂志, 2017, 34(2): 137-147.

LI Shuang-li, ZHU Qing-jun, LIU Mai-li, YANG Yun-huang. Characteristics of Protein NMR Resonances and Chemical Shift Assignments[J]. Chinese Journal of Magnetic Resonance, 2017, 34(2): 137-147.

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蛋白质分子核磁共振谱峰的特性及其化学位移归属

Characteristics of Protein NMR Resonances and Chemical Shift Assignments

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