Motional Modelling by NMR

通过 NMR 进行运动建模

• 批准号: 0135330
• 负责人: Erik Zuiderweg
• 金额: $ 68.5万
• 依托单位: Regents of the University of Michigan - Ann Arbor
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2002
• 资助国家: 美国
• 起止时间: 2002-02-01 至 2007-01-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0135330&HistoricalAwards=false
• 关键词: Motional; Modelling; NMR

This research will investigate protein dynamics in detail in order to understand how these macromolecules, especially enzymes, precisely work. Nuclear Magnetic Resonance Spectroscopy has proven over the years to be a viable method to determine protein dynamics. But, it has mostly been limited to the determination of the motions of the NH vector in proteins. In this project, the dynamical processes of many different vectors in proteins using residual dipolar couplings experiments, conformational exchange broadening experiments and cross-correlated relaxation measurements will be investigated. To interpret these data, theoretical computations of the chemical shift tensors will also be carried out. All these data will be combined to formulate comprehensive dynamical models of anisotropic local motion that are important for the complete description of the protein's molecular and energetic properties. Proteins are not nearly as static as is often assumed. The molecules have intrinsically mobile areas which are necessary to perform diverse functions in a living cell. Nuclear magnetic resonance spectroscopy is a technique that can retrieve the dynamical properties of virtually each atom, individually, in a biological macromolecule, such as protein. The detailed insights will likely help in the fundamental understanding of the molecules of life.

这项研究将详细研究蛋白质动力学，以了解这些大分子，特别是酶，是如何精确工作的。多年来，核磁共振波谱已被证明是一种确定蛋白质动力学的可行方法。但是，它大多局限于确定蛋白质中NH载体的运动。本项目将利用剩余偶极偶联实验、构象交换展宽实验和交叉相关弛豫测量来研究蛋白质中许多不同载体的动力学过程。为了解释这些数据，还将进行化学位移张量的理论计算。所有这些数据将结合起来，形成各向异性局部运动的综合动力学模型，这对于完整描述蛋白质的分子和能量特性非常重要。蛋白质并不像人们通常认为的那样是静态的。分子具有内在的可移动区域，这是在活细胞中执行各种功能所必需的。核磁共振波谱是一种可以检索生物大分子（如蛋白质）中几乎每个原子单独的动力学特性的技术。详细的洞察可能有助于对生命分子的基本理解。