CONFORMATION ANALYSIS OF PROTEIN STRUCTURE AND FUNCTION

蛋白质结构和功能的构象分析

• 批准号: 6107889
• 负责人: JOHN MOULT
• 金额: $ 15.24万
• 依托单位: UNIVERSITY OF MD BIOTECHNOLOGY INSTITUTE
• 依托单位国家: 美国
• 财政年份: 1998
• 资助国家: 美国
• 起止时间: 1998-08-01 至 1999-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/6107889
• 关键词: Internet; abstracting; chemical binding; computer data analysis; conformation; information retrieval; information systems; ionic bond; ligands; mathematical model; protein folding; protein sequence; protein structure function

DESCRIPTION: This joint computational project between CARB and TIGR has three aims: 1) Initial investigation of the function of genes by means of sequence and database searches of evolutionary relationships. Established sequence search methods, as well as more advanced techniques, including Hidden Markov Models and threading, will be used. 2) Analysis of the experimentally derived structures to deduce function. The folds of new structures will be compared with known folds and their functions. The catalytic sties of enzymes as well as metal binding sites will be identified by comparison with a database of known three-dimensional motifs. Ligand binding sties will be identified with the aid of two different methods of surface topology analysis, electrostatic potentials, and by an examination of evolutionary conservation of the surface. Possible ligands will be identified by the use of docking techniques developed for drug design, together with a library of natural ligands. Sites of interaction with other macromolecules will be identified by analysis of surface composition and evolutionary conservation. 3) Distribution and collection of information about the function of each protein studied. Information about function derived from the program will be made available rapidly via a Web site, and research groups likely to be interested in particular functions will be contacted.

描述：CARB 和 TIGR 之间的联合计算项目 三个目标：1）通过以下方式初步研究基因的功能： 进化关系的序列和数据库搜索。已确立的 序列搜索方法，以及更先进的技术，包括 将使用隐马尔可夫模型和线程。 2）分析 通过实验推导结构来推导函数。新的褶皱 结构将与已知的折叠及其功能进行比较。这 酶的催化位点以及金属结合位点将被 通过与已知三维数据库进行比较来识别 主题。配体结合位点将借助两种方法进行鉴定 表面拓扑分析、静电势、 并通过对表面进化守恒的检验。 将通过使用对接技术来鉴定可能的配体 与天然配体库一起开发用于药物设计。 与其他大分子相互作用的位点将通过以下方式确定 表面组成和进化保护分析。 3） 分发和收集有关每个功能的信息 研究蛋白质。有关从程序派生的函数的信息将 可以通过网站快速提供，并且研究小组可能会 将联系对特定功能感兴趣的人。