Center for Structural Biology of HIV RNA

摘要(核磁共振、计算和动力学核心) RNA是多种细胞过程的核心，包括HIV-1病毒复制的许多步骤。 在原子分辨率下对RNA的结构和动力学进行表征对于充分理解这些是必不可少的 功能，这在很大程度上源于它在一系列时间尺度上的结构可塑性。尽管如此，还是有 RNA的结构信息相对缺乏，它占蛋白质中沉积结构的2% 数据库。核磁共振是确定RNA结构的重要工具，约占沉积RNA的35% 结构，并且唯一能够在溶液中功能相关的时间尺度上探测RNA动力学。 计算技术对于可靠地模拟核酸、整合实验 来自不同来源的数据，以及在越来越长的时间尺度上将模型与实验数据进行比较。 因此，核磁共振、计算和动力学核心汇集了来自七个机构的研究人员，他们 在应用和开发前沿研究技术方面具有广泛和互补的专业知识 利用核磁共振和先进的计算工具研究RNA的结构、相互作用和动力学。堆芯 研究人员正在开发探测越来越大的RNA的方法，用独特的同位素标记标记RNA， 并确定了RNA动态系综的原子分辨结构。这些技术将被应用于 为了挑战RNA系统以阐明HIV-1RNA结构复合体在病毒转录中的作用， 拼接、核出口、翻译、包装和粒子组装。此外，核心将提供一般 核磁共振筛选服务，包括设计和制备同位素标记的RNA，数据获取和 分析，并将帮助所有CRNA研究项目有效地利用最先进的计算工具 结构计算和细化。

Abstract (NMR, Computation and Dynamics Core) RNA is central to the function of diverse cellular processes, including many steps of HIV-1 viral replication. Characterization of RNA structure and dynamics at atomic resolution is essential for a full understanding of these functions, which derive in large part from its structural plasticity over a range of timescales. Despite this, there is a relative paucity of structural information for RNAs, which comprise <2% of structures deposited in the Protein Data Bank. NMR is an important tool in RNA structure determination, contributing ~35% of the deposited RNA structures, and is uniquely capable of probing RNA dynamics on functionally relevant timescales in solution. Computational techniques are also essential for reliable simulation of nucleic acids, integration of experimental data from different sources, and comparison of models with experimental data at increasingly long timescales. The NMR, Computation and Dynamics Core therefore brings together investigators from seven institutions who have extensive and complementary expertise in applying and developing leading edge techniques for studying the structure, interactions, and dynamics of RNA using NMR and advanced computational tools. Core investigators are developing methods to probe increasingly large RNAs, tag RNAs with unique isotopic labels, and determine the atomic resolution structures of RNA dynamic ensembles. These technologies will be applied to challenging RNA systems to illuminate the role of HIV-1 RNA structural complexes in viral transcription, splicing, nuclear export, translation, packaging, and particle assembly. In addition, the Core will provide general NMR screening services, including design and preparation of isotopically labeled RNAs, data acquisition and analysis, and will help all CRNA Research Projects make effective use of state-of-the-art tools in computational structure calculation and refinement.