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PCRPi-DB:蛋白质界面中经计算注释的热点数据库。

PCRPi-DB: a database of computationally annotated hot spots in protein interfaces.

作者信息

Segura Joan, Fernandez-Fuentes Narcis

机构信息

Section of Experimental Therapeutics, Leeds Institute of Molecular Medicine, St James's University Hospital, University of Leeds, Leeds LS9 7TF, UK.

出版信息

Nucleic Acids Res. 2011 Jan;39(Database issue):D755-60. doi: 10.1093/nar/gkq1068. Epub 2010 Nov 18.

Abstract

Protein-protein interactions are central to almost any cellular process. Although typically protein interfaces are large, it is well established that only a relatively small region, the so-called 'hot spot', contributes the most to the total binding energy. There is a clear interest in identifying hot spots because of its application in drug discovery and protein design. Presaging Critical Residues in Protein Interfaces Database (PCRPi-DB) is a public repository that archives computationally annotated hot spots in protein complexes for which the 3D structure is known. Hot spots have been annotated using a new and highly accurate computational method developed in the lab. PCRPi-DB is freely available to the scientific community at http://www.bioinsilico.org/PCRPIDB. Besides browsing and querying the contents of the database, extensive documentation and links to relevant on-line resources and contents are available to users. PCRPi-DB is updated on a weekly basis.

摘要

蛋白质-蛋白质相互作用几乎是所有细胞过程的核心。虽然通常蛋白质界面很大,但人们已经清楚地认识到,只有一个相对较小的区域,即所谓的“热点”,对总结合能的贡献最大。由于其在药物发现和蛋白质设计中的应用,识别热点具有明显的意义。蛋白质界面关键残基预测数据库(PCRPi-DB)是一个公共存储库,它存档了已知三维结构的蛋白质复合物中通过计算注释的热点。热点是使用实验室开发的一种新的高精度计算方法进行注释的。PCRPi-DB可在http://www.bioinsilico.org/PCRPIDB上免费提供给科学界。除了浏览和查询数据库内容外,用户还可以获得广泛的文档以及与相关在线资源和内容的链接。PCRPi-DB每周更新一次。

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