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天然无序蛋白质构象集合体中的自发转换。

Spontaneous Switching among Conformational Ensembles in Intrinsically Disordered Proteins.

机构信息

Department of Molecular and Cellular Physiology, Department of Neurology and Neurological Sciences, Department of Structural Biology, Department of Photon Science, Howard Hughes Medical Institute, Stanford University, Stanford, CA 94305, USA.

Department of Physics and Astronomy, Clemson University, Clemson, SC, 29634, USA.

出版信息

Biomolecules. 2019 Mar 22;9(3):114. doi: 10.3390/biom9030114.

Abstract

The common conception of intrinsically disordered proteins (IDPs) is that they stochastically sample all possible configurations driven by thermal fluctuations. This is certainly true for many IDPs, which behave as swollen random coils that can be described using polymer models developed for homopolymers. However, the variability in interaction energy between different amino acid sequences provides the possibility that some configurations may be strongly preferred while others are forbidden. In compact globular IDPs, core hydration and packing density can vary between segments of the polypeptide chain leading to complex conformational dynamics. Here, we describe a growing number of proteins that appear intrinsically disordered by biochemical and bioinformatic characterization but switch between restricted regions of conformational space. In some cases, spontaneous switching between conformational ensembles was directly observed, but few methods can identify when an IDP is acting as a restricted chain. Such switching between disparate corners of conformational space could bias ligand binding and regulate the volume of IDPs acting as structural or entropic elements. Thus, mapping the accessible energy landscape and capturing dynamics across a wide range of timescales are essential to recognize when an IDP is acting as such a switch.

摘要

普遍认为无规卷曲蛋白(IDPs)是指它们在热波动的驱动下随机采样所有可能的构象。对于许多 IDPs 来说,这确实是正确的,它们表现为肿胀的无规卷曲,可以使用为均聚物开发的聚合物模型来描述。然而,不同氨基酸序列之间相互作用能的可变性提供了这样一种可能性,即某些构象可能是强烈偏好的,而其他构象则是被禁止的。在紧凑的球状 IDPs 中,核心水合作用和堆积密度在多肽链的不同片段之间可能会有所变化,从而导致复杂的构象动力学。在这里,我们描述了越来越多的蛋白质,它们通过生化和生物信息学特征被描述为固有无序,但在构象空间的受限区域之间发生切换。在某些情况下,构象集合之间的自发切换可以直接观察到,但很少有方法可以确定 IDP 何时作为受限链起作用。这种在构象空间不同角落之间的切换可能会影响配体结合,并调节作为结构或熵元件的 IDP 的体积。因此,绘制可及能量景观并在广泛的时间尺度上捕捉动力学对于识别 IDP 何时充当这种开关至关重要。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eb02/6468417/02528f3b56f7/biomolecules-09-00114-g001.jpg

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