使用各向异性顺磁核磁共振约束来表征多结构域蛋白质的构象集合。
Characterizing conformational ensembles of multi-domain proteins using anisotropic paramagnetic NMR restraints.
作者信息
Hou Xue-Ni, Tochio Hidehito
机构信息
Department of Biophysics, Graduate School of Science, Kyoto University, Sakyo-ku, Kyoto, 606-8502 Japan.
出版信息
Biophys Rev. 2022 Jan 11;14(1):55-66. doi: 10.1007/s12551-021-00916-4. eCollection 2022 Feb.
Abstract
It has been over two decades since paramagnetic NMR started to form part of the essential techniques for structural analysis of proteins under physiological conditions. Paramagnetic NMR has significantly expanded our understanding of the inherent flexibility of proteins, in particular, those that are formed by combinations of two or more domains. Here, we present a brief overview of techniques to characterize conformational ensembles of such multi-domain proteins using paramagnetic NMR restraints produced through anisotropic metals, with a focus on the basics of anisotropic paramagnetic effects, the general procedures of conformational ensemble reconstruction, and some representative reweighting approaches.
摘要
自顺磁核磁共振开始成为生理条件下蛋白质结构分析的基本技术之一以来，已经过去了二十多年。顺磁核磁共振极大地扩展了我们对蛋白质固有灵活性的理解，特别是那些由两个或更多结构域组合形成的蛋白质。在这里，我们简要概述了利用通过各向异性金属产生的顺磁核磁共振约束来表征此类多结构域蛋白质构象集合的技术，重点关注各向异性顺磁效应的基础知识、构象集合重建的一般程序以及一些代表性的重加权方法。
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