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首页> 外文期刊>Nucleic Acids Research >JAIL: a structure-based interface library for macromolecules.
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JAIL: a structure-based interface library for macromolecules.

机译:JAIL:大分子的基于结构的接口库。

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摘要

The increasing number of solved macromolecules provides a solid number of 3D interfaces, if all types of molecular contacts are being considered. JAIL annotates three different kinds of macromolecular interfaces, those between interacting protein domains, interfaces of different protein chains and interfaces between proteins and nucleic acids. This results in a total number of about 184 000 database entries. All the interfaces can easily be identified by a detailed search form or by a hierarchical tree that describes the protein domain architectures classified by the SCOP database. Visual inspection of the interfaces is possible via an interactive protein viewer. Furthermore, large scale analyses are supported by an implemented sequential and by a structural clustering. Similar interfaces as well as non-redundant interfaces can be easily picked out. Additionally, the sequential conservation of binding sites was also included in the database and is retrievable via Jmol. A comprehensive download section allows the composition of representative data sets with user defined parameters. The huge data set in combination with various search options allow a comprehensive view on all interfaces between macromolecules included in the Protein Data Bank (PDB). The download of the data sets supports numerous further investigations in macromolecular recognition. JAIL is publicly available at http://bioinformatics.charite.de/jail.
机译:如果考虑所有类型的分子接触,则越来越多的已解决大分子提供了数量可观的3D界面。 JAIL注释了三种不同类型的大分子界面,即相互作用的蛋白质结构域之间的界面,不同蛋白质链的界面以及蛋白质与核酸之间的界面。这样一来,总数约为184 000个数据库条目。所有接口都可以通过详细的搜索表单或描述由SCOP数据库分类的蛋白质域架构的层次树轻松识别。可以通过交互式蛋白质查看器对界面进行视觉检查。此外,实施的顺序分析和结构聚类支持大规模分析。可以轻松选择相似的接口以及非冗余接口。此外,结合位点的顺序保守性也包括在数据库中,可通过Jmol检索。全面的下载部分允许使用用户定义的参数来构成代表性数据集。庞大的数据集与各种搜索选项结合在一起,可以全面查看蛋白质数据库(PDB)中包含的大分子之间的所有接口。数据集的下载支持大分子识别的许多进一步研究。 JAIL可从http://bioinformatics.charite.de/jail公开获得。

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