STRUCTURE DETERMIN OF PROTEIN ASSEMBLIES BY SATISFACTION OF SPATIAL RESTRAINTS

通过满足空间限制来确定蛋白质组装体的结构

• 批准号: 8361512
• 负责人: ANDREJ SALI
• 金额: $ 0.78万
• 依托单位: ROCKEFELLER UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-03-01 至 2012-03-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8361512
• 关键词: Cells; Complex; Data; Funding; Grant; Methods; Modeling; National Center for Research Resources; Nuclear Pore Complex; Paper; Preparation; Principal Investigator; Proteins; Research; Research Infrastructure; Resolution; Resources; Saccharomycetales; Source; Structure; United States National Institutes of Health; Work; cost; macromolecular assembly; macromolecule; member; restraint; satisfaction

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. To understand the cell, we need to determine the structures of macromolecular assemblies, many of which consist of tens to hundreds of components. A great variety of experimental data can be used to characterize the assemblies at several levels of resolution, from atomic structures to component configurations. To maximize completeness, resolution, accuracy, precision and efficiency of the structure determination, a computational approach is needed that can use spatial information from a variety of experimental methods. We propose such an approach, defined by its three main components: a hierarchical representation of the assembly, a scoring function consisting of spatial restraints derived from experimental data, and an optimization method that generates structures consistent with the data. We are using this approach to obtain a more accurate model of the seven member Nup84 complex from the budding yeast nuclear pore complex. A paper describing this work is in preparation.

该副本是利用资源的众多研究子项目之一 由NIH/NCRR资助的中心赠款提供。对该子弹的主要支持 而且，副投影的主要研究员可能是其他来源提供的 包括其他NIH来源。 列出的总费用可能 代表subproject使用的中心基础架构的估计量， NCRR赠款不直接向子弹或副本人员提供的直接资金。 要了解细胞，我们需要确定 大分子组件，其中许多由数十个成分组成。 可以使用多种实验数据来表征 从原子结构到组件的几个分辨率的组装 配置。为了最大化完整性，分辨率，准确性，精度和效率 在结构确定中，需要一种计算方法 使用来自各种实验方法的空间信息。我们提出了这样的建议 一种方法，由其三个主要组成部分定义： 组件，一种评分函数，由实验性的空间限制组成 数据以及一种生成与一致的结构的优化方法 数据。我们正在使用这种方法来从发芽的酵母核孔复合物中获得七个成员NUP84复合物的更准确模型。一篇描述这项工作的论文正在准备。