深层挖掘蛋白质能源景观。

IF 2.3 2区 物理与天体物理 Q3 CHEMISTRY, PHYSICAL
A Joshua Wand
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引用次数: 0

摘要

半个多世纪以来,人们已经知道蛋白质分子自然地经历了广泛的结构波动,这些内部运动与它们的功能特性密切相关。能量景观观点为描述蛋白质在其生命周期中所经历的各种物理状态提供了一个强有力的框架。这个视角关注的是蛋白质能量格局中通常被忽视和经常被贬低的轴:熵。最初主要被视为蛋白质分子功能相关状态的障碍,最近变得清楚的是,蛋白质在“天然”状态下保留了相当大的构象熵,并且这种熵可以并且经常对基本蛋白质性质,过程和功能的自由能做出重大贡献。核磁共振波谱、分子动力学模拟和新兴的晶体学观点已经同步成熟,它们阐明了蛋白质“基态”的动态无序性,以及它们不仅在生物学上有趣的结构之间转移,而且还极大地影响了它们的稳定性、协同性和对变构等关键性质的贡献。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Deep mining of the protein energy landscape.

Deep mining of the protein energy landscape.

For over half a century, it has been known that protein molecules naturally undergo extensive structural fluctuations, and that these internal motions are intimately related to their functional properties. The energy landscape view has provided a powerful framework for describing the various physical states that proteins visit during their lifetimes. This Perspective focuses on the commonly neglected and often disparaged axis of the protein energy landscape: entropy. Initially seen largely as a barrier to functionally relevant states of protein molecules, it has recently become clear that proteins retain considerable conformational entropy in the "native" state, and that this entropy can and often does contribute significantly to the free energy of fundamental protein properties, processes, and functions. NMR spectroscopy, molecular dynamics simulations, and emerging crystallographic views have matured in parallel to illuminate dynamic disorder of the "ground state" of proteins and their importance in not only transiting between biologically interesting structures but also greatly influencing their stability, cooperativity, and contribution to critical properties such as allostery.

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来源期刊
Structural Dynamics-Us
Structural Dynamics-Us CHEMISTRY, PHYSICALPHYSICS, ATOMIC, MOLECU-PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
CiteScore
5.50
自引率
3.60%
发文量
24
审稿时长
16 weeks
期刊介绍: Structural Dynamics focuses on the recent developments in experimental and theoretical methods and techniques that allow a visualization of the electronic and geometric structural changes in real time of chemical, biological, and condensed-matter systems. The community of scientists and engineers working on structural dynamics in such diverse systems often use similar instrumentation and methods. The journal welcomes articles dealing with fundamental problems of electronic and structural dynamics that are tackled by new methods, such as: Time-resolved X-ray and electron diffraction and scattering, Coherent diffractive imaging, Time-resolved X-ray spectroscopies (absorption, emission, resonant inelastic scattering, etc.), Time-resolved electron energy loss spectroscopy (EELS) and electron microscopy, Time-resolved photoelectron spectroscopies (UPS, XPS, ARPES, etc.), Multidimensional spectroscopies in the infrared, the visible and the ultraviolet, Nonlinear spectroscopies in the VUV, the soft and the hard X-ray domains, Theory and computational methods and algorithms for the analysis and description of structuraldynamics and their associated experimental signals. These new methods are enabled by new instrumentation, such as: X-ray free electron lasers, which provide flux, coherence, and time resolution, New sources of ultrashort electron pulses, New sources of ultrashort vacuum ultraviolet (VUV) to hard X-ray pulses, such as high-harmonic generation (HHG) sources or plasma-based sources, New sources of ultrashort infrared and terahertz (THz) radiation, New detectors for X-rays and electrons, New sample handling and delivery schemes, New computational capabilities.
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