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首页> 外文期刊>Journal of Molecular Biology >Distribution of molecular size within an unfolded state ensemble using small-angle X-ray scattering and pulse field gradient NMR techniques.
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Distribution of molecular size within an unfolded state ensemble using small-angle X-ray scattering and pulse field gradient NMR techniques.

机译：使用小角度X射线散射和脉冲场梯度NMR技术在未折叠状态集合中分子大小的分布。

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摘要

The size distribution of molecules within an unfolded state of the N-terminal SH3 domain of drk (drkN SH3) has been studied by small-angle X-ray scattering (SAXS) and pulsed-field-gradient NMR (PFG-NMR) methods. An empirical model to describe this distribution in the unfolded state ensemble has been proposed based on (i) the ensemble-averaged radius of gyration and hydrodynamic radius derived from the SAXS and PFG-NMR data, respectively, and (ii) a histogram of the size distribution of structures obtained from preliminary analyses of structural parameters recorded on the unfolded state. Results show that this unfolded state, U(exch), which exists in equilibrium with the folded state, F(exch), under non-denaturing conditions, is relatively compact, with the average size of conformers within the unfolded state ensemble only 30-40% larger than the folded state structure. In addition, the model predicts a significant overlap in the size range of structures comprising the U(exch) state with those in a denatured state obtained by addition of 2 M guanidinium chloride.
机译：通过小角X射线散射（SAXS）和脉冲场梯度NMR（PFG-NMR）方法研究了drk（drkN SH3）的N末端SH3结构域的未折叠状态下分子的尺寸分布。基于（i）分别从SAXS和PFG-NMR数据得出的集合平均回转半径和流体动力半径，以及（ii）柱状图的直方图，提出了描述未折叠状态集合中这种分布的经验模型。从对展开状态下记录的结构参数的初步分析获得的结构的尺寸分布。结果表明，在非变性条件下，与折叠状态F（exch）处于平衡状态的这种展开状态U（exch）相对紧凑，展开状态集合中构象异构体的平均大小仅为30-比折叠状态的结构大40％。另外，该模型预测了包含U（exch）状态的结构与通过添加2M氯化胍得到的变性状态的结构在尺寸范围上的显着重叠。

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