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PPIDD:一种生物蛋白质-蛋白质相互作用界面的提取与可视化方法。

PPIDD: an extraction and visualisation method of biological protein-protein interfaces.

作者信息

Benoit Vincent, Mucchielli-Giorgi Marie-Hélène, Dumont Benoît, Durosay Patrice, Reymond Nancie, Delacroix Hervé

机构信息

Centre de Génétique Moléculaire, UPR2167, Gif/Orsay DNA MicroArray Platform, F-91198 Gif-sur-Yvette, France.

出版信息

Biochimie. 2008 Apr;90(4):640-7. doi: 10.1016/j.biochi.2007.11.008. Epub 2007 Nov 28.

Abstract

Today, the information for generating reliable protein-protein complex datasets is not directly accessible from PDB structures. Moreover, in X-ray protein structures, different types of contacts can be observed between proteins: contacts in homodimers or inside heterocomplexes considered to be specific, and contacts induced by crystallogenesis processes, considered to be non-specific. However, none of the databases giving access to protein-protein complexes allows the crystallographic interfaces to be distinguished from the biological interfaces. For this reason we developed PPIDD (Protein-Protein Interface Description Database), an innovative tool, which allows the extraction and visualisation of biological protein-protein interfaces from an annotated subset of crystallographic structures of proteins. This tool is focused on the description of protein-protein interfaces corresponding to well-identified classes of protein assemblies. It permits the representation of any of these protein-protein assemblies (duplex) and their interfaces as well as the export of the corresponding molecular structures under a flexible format, which is an extension of the PDBML. Moreover, PPIDD facilitates the construction of subsets of interfaces presenting user-specified common characteristics, to enhance the understanding of the determinants of specific protein-protein interactions.

摘要

如今,无法直接从蛋白质数据银行(PDB)结构中获取生成可靠蛋白质 - 蛋白质复合物数据集所需的信息。此外,在X射线蛋白质结构中,可以观察到蛋白质之间存在不同类型的接触:同二聚体中的接触或异源复合物内部被认为是特异性的接触,以及由晶体生成过程诱导的被认为是非特异性的接触。然而,所有可获取蛋白质 - 蛋白质复合物的数据库都无法区分晶体学界面和生物学界面。因此,我们开发了PPIDD(蛋白质 - 蛋白质界面描述数据库),这是一种创新工具,它可以从蛋白质晶体学结构的注释子集中提取和可视化生物学蛋白质 - 蛋白质界面。该工具专注于描述与明确识别的蛋白质组装类别相对应的蛋白质 - 蛋白质界面。它允许表示任何这些蛋白质 - 蛋白质组装(双链体)及其界面,并以灵活格式导出相应的分子结构,该格式是PDBML的扩展。此外,PPIDD有助于构建具有用户指定共同特征的界面子集,以增强对特定蛋白质 - 蛋白质相互作用决定因素的理解。

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