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对泛素中剩余偶极耦合的全面动态解释。

A thorough dynamic interpretation of residual dipolar couplings in ubiquitin.

作者信息

Lakomek Nils A, Carlomagno Teresa, Becker Stefan, Griesinger Christian, Meiler Jens

机构信息

NMR based structural biology, Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, 37077, Goettingen, Germany.

出版信息

J Biomol NMR. 2006 Feb;34(2):101-15. doi: 10.1007/s10858-005-5686-0.

DOI:10.1007/s10858-005-5686-0
PMID:16518697
Abstract

The presence of slow motions with large amplitudes, as detected by measurements based on residual dipolar couplings [Peti, W., Meiler, J., Brueschweiler, R. and Griesinger, C. (2002) J. Am. Chem. Soc., 124, 5822-5833], has stirred up much discussion in recent years. Based on ubiquitin NH residual dipolar couplings (rdcs) measured in 31 different alignment conditions, a model-free analysis of structure and dynamics [Meiler, J., Peti, W., Prompers, J., Griesinger, C. and Brueschweiler, R. (2001) J. Am. Chem. Soc., 123, 6098-6107] is presented. Starting from this broad experimental basis, rdc-based order parameters with so far unattained accuracy were determined. These rdc-based order parameters underpin the presence of new modes of motion slower than the inverse overall tumbling correlation time. Amplitudes and anisotropies of the motion were derived. The effect of structural noise on the results was proven to be negligible.

摘要

基于剩余偶极耦合的测量方法检测到的大振幅慢运动的存在[佩蒂,W.,米勒,J.,布鲁施魏勒,R.和格里辛格,C.(2002年)《美国化学会志》,124,5822 - 5833],近年来引发了诸多讨论。基于在31种不同取向条件下测量的泛素NH剩余偶极耦合(rdc),提出了一种结构与动力学的无模型分析方法[米勒,J.,佩蒂,W.,普罗姆佩斯,J.,格里辛格,C.和布鲁施魏勒,R.(2001年)《美国化学会志》,123,6098 - 6107]。基于这一广泛的实验基础,确定了迄今精度尚未达到的基于rdc的序参数。这些基于rdc的序参数支持了比整体翻滚反相关时间更慢的新运动模式的存在。推导了运动的振幅和各向异性。结果表明结构噪声对结果的影响可忽略不计。

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