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PyProtif:一个用于检索和可视化蛋白质结构研究模体的 PyMol 插件。

PyProtif: a PyMol plugin to retrieve and visualize protein motifs for structural studies.

机构信息

Department of Computer Science and Mathematics, Lebanese American University, Beirut, Lebanon.

出版信息

Amino Acids. 2023 Oct;55(10):1429-1436. doi: 10.1007/s00726-023-03323-z. Epub 2023 Sep 12.

Abstract

Proteins often possess several motifs and the ones with similar motifs were found to have similar biochemical properties and thus related biological functions. Thereby, multiple databases were developed to store information on such motifs in proteins. For instance, PDBsum stores the results of Promotif's generated structural motifs and Pfam stores pre-computed patterns of functional domains. In addition to the fact that all this stored information is extremely useful, we can further augment its importance if we ought to integrate these motifs into visualization software. In this work, we have developed PyProtif, a plugin for the PyMOL molecular visualization program, which automatically retrieves protein structural and functional motifs from different databases and integrates them in PyMOL for visualization and analyses. Through an expendable menu and a user-friendly interface, the plugin grants the users the ability to study simultaneously multiple proteins and to select and manipulate each motif separately. Thus, this plugin will be of great interest for structural, evolutionary and classification studies of proteins.

摘要

蛋白质通常具有多个基序,具有相似基序的蛋白质被发现具有相似的生化特性,因此具有相关的生物学功能。因此,开发了多个数据库来存储蛋白质中此类基序的信息。例如,PDBsum 存储 Promotif 生成的结构基序的结果,而 Pfam 存储预先计算的功能域模式。除了所有这些存储的信息非常有用之外,如果我们应该将这些基序集成到可视化软件中,我们可以进一步提高其重要性。在这项工作中,我们开发了 PyProtif,这是 PyMOL 分子可视化程序的一个插件,它可以自动从不同的数据库中检索蛋白质的结构和功能基序,并将它们集成到 PyMOL 中进行可视化和分析。通过一个可扩展的菜单和用户友好的界面,该插件允许用户同时研究多个蛋白质,并选择和单独操作每个基序。因此,该插件将对蛋白质的结构、进化和分类研究具有重要意义。

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