NMR STUDIES OF BIOMOLECULAR STRUCTURE, FUNCTION, AND DYNAMICS

这个项目的总体目标是使用核磁。 用于表征生物大分子的核磁共振波谱 以及它们与环境关注的化合物的相互作用。在.期间 在过去的一年里，我们参与了与Dr。 克拉克森大学的琳达·勒克研究细菌周质受体 蛋白质。这些蛋白质提供了一个极具吸引力的模型系统 为了研究受体-配体相互作用的一般问题，因为 它们相对较小，溶解度较高。关于黄曲霉毒素的初步研究 葡萄糖/半乳糖受体(GGR)参与了结构和动力学过程。 伴随着葡萄糖络合的变化。这些调查已经 在某种程度上依赖于我们最近发现的动态频移 由于标量耦合引起的多重态中的扰动 氢原子核。未来的工作将涉及到对结构的研究 类似物，为了确定受体的特异性有多广， 并确定观察到的特异性的分子基础。在……里面 在这些研究的同时，我们继续我们的理论 对动态频移的研究，并扩展了 包含任意原子核的耦合自旋系统的处理 旋转。 环境因子形成的蛋白质加合物涉及到复合体。 化学/生化/结构相互作用，充其量是， 不完全理解。在过去的一年里，我们发起了一项 一种程序，其目的是表征由 溴乙酸酯和其他对环境有影响的化学品。核磁共振 技术是唯一适合于描述异质性的 在典型的生理条件下可以形成的加合物。

The overall aim of this project involves the use of nuclear magnetic resonance (NMR) spectroscopy to characterize biological macromolecules and their interaction with compounds of environmental concern. During the past year, we have been involved in collaborative studies with Dr. Linda Luck at Clarkson University, on bacterial periplasmic receptor proteins. These proteins provide a extremely attractive model systems for studying the general problem of receptor-ligand interactions, since they are relatively small and highly soluble. Initial studies on the glucose/galactose receptor (GGR) have involved the structural and dynamic changes which accompany glucose complexation. These investigations have relied to some extent on our recent discovery of dynamic frequency shift perturbations in the multiplets which arise due to scalar coupling with deuterium nuclei. Future work will involve studies with structural analogs, in an effort to determine how broad the receptor sepcificity is, and to determine the molecular basis for the observed specificity. In parallel with these studies, we have continued our theoretical investigations of dynamic frequency shifts, and have extended the treatment to include coupled spin systems involving nuclei of arbitrary spin. The formation of protein adducts by environmental agents involves complex chemical/biochemical/structural interactions which are, at best, incompletely understood. During the past year, we have initiated a program aimed at the characterization of the adducts formed from bromoacetate and other chemicals of environmental interest. The NMR technique is uniquely suited to the characterization of the heterogeneous adducts which can form under typical physiological conditions.