Abstract

CATH (https://www.cathdb.info) identifies domains in protein structures from wwPDB and classifies these into evolutionary superfamilies, thereby providing structural and functional annotations. There are two levels: CATH-B, a daily snapshot of the latest domain structures and superfamily assignments, and CATH+, with additional derived data, such as predicted sequence domains, and functionally coherent sequence subsets (Functional Families or FunFams). The latest CATH+ release, version 4.3, significantly increases coverage of structural and sequence data, with an addition of 65,351 fully-classified domains structures (+15%), providing 500 238 structural domains, and 151 million predicted sequence domains (+59%) assigned to 5481 superfamilies. The FunFam generation pipeline has been re-engineered to cope with the increased influx of data. Three times more sequences are captured in FunFams, with a concomitant increase in functional purity, information content and structural coverage. FunFam expansion increases the structural annotations provided for experimental GO terms (+59%). We also present CATH-FunVar web-pages displaying variations in protein sequences and their proximity to known or predicted functional sites. We present two case studies (1) putative cancer drivers and (2) SARS-CoV-2 proteins. Finally, we have improved links to and from CATH including SCOP, InterPro, Aquaria and 2DProt.

中文翻译：

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CATH：增加功能空间的结构覆盖

 抽象的

CATH (https://www.cathdb.info) 从 wwPDB 中识别蛋白质结构中的域，并将其分类为进化超家族，从而提供结构和功能注释。有两个级别：CATH-B，最新结构域结构和超家族分配的每日快照，以及 CATH+，带有额外的衍生数据，例如预测的序列域和功能一致的序列子集（功能族或 FunFams）。最新的 CATH+ 版本 4.3 显着提高了结构和序列数据的覆盖范围，增加了 65,351 个完全分类的域结构 (+15%)，提供 500,238 个结构域和 1.51 亿个预测序列域 (+59%)分配给 5481 个超家族。 FunFam 生成管道经过重新设计，以应对不断增加的数据涌入。 FunFams 捕获的序列数量增加了三倍，功能纯度、信息内容和结构覆盖率也随之增加。 FunFam 扩展增加了为实验 GO 术语提供的结构注释 (+59%)。我们还展示了 CATH-FunVar 网页，显示蛋白质序列的变化及其与已知或预测功能位点的接近程度。我们提出了两个案例研究 (1) 假定的癌症驱动因素和 (2) SARS-CoV-2 蛋白。最后，我们改进了与 CATH 的链接，包括 SCOP、InterPro、Aquaria 和 2DProt。