波谱学杂志

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脱氧核糖核酸的核磁共振研究简介

毛希安   

  1. 中国科学院武汉物理与数学研究所, 波谱与原子分子物理国家重点实验室,湖北武汉 430071
  • 收稿日期:2002-07-01 修回日期:2002-09-25 出版日期:2003-03-05 发布日期:2003-03-05
  • 作者简介:毛希安(1952-),江西人,男,博士,研究员,博士生导师,从事核磁共振理论与实验方法研究
  • 基金资助:

    国家杰出青年基金资助(29725307)

AN OUTLINE OF NMR STUDIES OF DNA

MAO Xi-an   

  1. State Key Laboratory of Magnetic Resonance and Atomic Molecular Physics, Wuhan Instiute of Physics and Mathematics, The Chinese Academy of Sciences P.O.Box.71010, Wuhan 430071, China
  • Received:2002-07-01 Revised:2002-09-25 Online:2003-03-05 Published:2003-03-05
  • Supported by:

    国家杰出青年基金资助(29725307)

摘要:

从NMR谱峰归属,NMR约束及结构计算,NMR谱的主要特征,化学位移的环流效应,以及溶液动力学等几个方面简要地介绍了核磁共振在DNA结构和动力学研究中的应用. 指出了DNA的NMR研究中存在着的一些问题. 这些问题主要包括:分子力场中的二面角参数不符合非规整DNA结构中的许多二面角;用分子模拟软件重建DNA结构时没有很好的重现性;DNA的化学位移环流效应理论尚未成熟;“无模型(model-free)”模型在定量解释异核稳态NOE时不理想. 然而,NMR所提供的结构和动力学信息仍然是十分重要的并且极大地深化了人们对DNA的了解.

关键词: NMR, DNA, 简述, 存在着的问题

Abstract:

Applications of NMR to the studies of DNA structures and dynamics are reviewed in aspects regarding NMR peak assignment, NMR constraints and structure calculation, main features of DNA NMR spectra, ring current effect on DNA chemical shifts, and DNA dynamics in solution. Unsolved problems in DNA NMR studies are also pointed out, which include: (1) The dihedral angle parameters in molecular modeling force field are not consistent with those in irregular DNA. (2) DNA structures simulated by molecular modeling usually do not have good consistency. (3) The ring current theory for explaining DNA chemical shifts is yet not ready for use. (4) The “modelfree” model has difficulties in interpreting steady-state NOE. Nonetheless, the structural and dynamical information provided by NMR is still important, and has greatly deepened our understanding of DNA.

Key words: NMR, DNA, Outline, Questions remaining unsolved

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