Insights into biomolecular hydrogen bonds from hydrogen bond scalar couplings

被引：149

作者：

Grzesiek, S ^{[1
]}

Cordier, F

Jaravine, V

Barfield, M

机构：

[1] Univ Basel, Div Struct Biol, Biozentrum, CH-4056 Basel, Switzerland

[2] Univ Arizona, Dept Chem, Tucson, AZ 85721 USA

来源：

PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY | 2004年 / 45卷 / 3-4期

关键词：

hydrogen bond; scalar coupling; chemical shift; secondary structure; tertiary structure; protein; nucleic acid; NMR; density functional theory;

D O I：

10.1016/j.pnmrs.2004.08.001

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The correlation between the size of the H-bond coupling, chemical shift of H-bonding proton, and H-bond geometry is investigated. It is observed that a number of practical applications have arisen from the possibility of achieving H-bond-mediated scalar magnetization transfer. It is also observed that H-bond geometries of static structures does not describe H-bonding truthfully. It is found that highly dynamic and cooperative character of the canonical H-bonds in biomacromolecules is directly and individually observable by H-bond couplings.

引用

收藏

页码：275 / 300

页数：26

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