V. Ravichandran, J. Vondrášek, G. Gilliland, T. Bhat, A. Wlodawer
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引用次数: 0
摘要
HIV蛋白酶数据库(HIV Protease Database, HIVdb)是一个存储HIV蛋白酶结构的库,这些结构从未被释放或存储到蛋白质数据库(Protein Data Bank, PDB)中。艾滋病毒数据库与官方数据一起,在统计意义上提供了一个独特的信息来源。数据库包含207个结构;148个来自PDB, 59个是hiv数据库中的唯一条目。设计了用于创建统计分析集成的查询工具。我们提出了一种新的HIV蛋白酶数据库的形式、位置、工具和数据形式。新工具利用标准的PDB用户界面,但提供了专门与这种蛋白质及其配体连接的额外功能。我们还为PDB的特定子集或子数据库提出了一种设计策略,目的是指出与单个蛋白质结构相关的问题的统计维度。我们目前正在对配体进行注释,以便包括它们的化学性质。这种方法强调大规模数据库和可伸缩性。
HIV Protease Database (HIVdb) is a repository for those structures of HIV protease that have never been released or deposited to the Protein Data Bank (PDB). Together with the official PDB data, HIVdb provided a unique source of information in a statistical sense. The database contains 207 structures; 148 taken from PDB, and 59 that are unique entries in HIVdb. Query tools in terms of the creation of ensembles for statistical analysis were designed. We present a new form, location, tools and data form of the HIV Protease Database. The new tools utilize a standard PDB user interface, but provide extra capabilities connected exclusively with this one protein and its ligands. We also present a design strategy for a specific subset or sub-database of the PDB with the aim of pointing out the statistical dimension of the problem related to a single protein structure. We are currently annotating the ligands in order to include their chemical properties. This approach emphasises large scale databases and scalability.