Samson Abraham O, Levitt Michael
Department of Structural Biology, Stanford University, Stanford, CA 94305, USA.
Nucleic Acids Res. 2009 Jan;37(Database issue):D224-8. doi: 10.1093/nar/gkn833. Epub 2008 Oct 30.
Finding related conformations in the Protein Data Bank (PDB) is essential in many areas of bioscience. To assist this task, we designed a search engine that uses a compact database to quickly identify protein segments obeying a set of primary, secondary and tertiary structure constraints. The database contains information such as amino acid sequence, secondary structure, disulfide bonds, hydrogen bonds and atoms in contact as calculated from all protein structures in the PDB. The search engine parses the database and returns hits that match the queried parameters. The conformation search engine, which is notable for its high speed and interactive feedback, is expected to assist scientists in discovering conformation homologs and predicting protein structure. The engine is publicly available at http://ari.stanford.edu/psf and it will also be used in-house in an automatic mode aimed at discovering new protein motifs.
在生物科学的许多领域中,在蛋白质数据库(PDB)中查找相关构象至关重要。为协助完成这项任务,我们设计了一种搜索引擎,该引擎使用一个紧凑的数据库来快速识别符合一组一级、二级和三级结构约束的蛋白质片段。该数据库包含从PDB中的所有蛋白质结构计算得出的诸如氨基酸序列、二级结构、二硫键、氢键以及接触原子等信息。该搜索引擎解析数据库并返回与查询参数匹配的结果。这个以高速和交互式反馈著称的构象搜索引擎有望帮助科学家发现构象同源物并预测蛋白质结构。该引擎可在http://ari.stanford.edu/psf上公开获取,并且还将以自动模式在内部使用,旨在发现新的蛋白质基序。