Dynamique des Structures et Interactions des Macromolécules Biologiques, UMR-S INSERM S665, Faculté des Sciences et Technologies, Université de La Réunion, F-97715 Saint Denis Messag Cedex 09, La Réunion, France.
Database (Oxford). 2013 Jul 11;2013:bat048. doi: 10.1093/database/bat048. Print 2013.
Protein structure alignment is a crucial step in protein structure-function analysis. Despite the advances in protein structure alignment algorithms, some of the local conformationally similar regions are mislabeled as structurally variable regions (SVRs). These regions are not well superimposed because of differences in their spatial orientations. The Database of Structural Alignments (DoSA) addresses this gap in identification of local structural similarities obscured in global protein structural alignments by realigning SVRs using an algorithm based on protein blocks. A set of protein blocks is a structural alphabet that abstracts protein structures into 16 unique local structural motifs. DoSA provides unique information about 159,780 conformationally similar and 56,140 conformationally dissimilar SVRs in 74 705 pairwise structural alignments of homologous proteins. The information provided on conformationally similar and dissimilar SVRs can be helpful to model loop regions. It is also conceivable that conformationally similar SVRs with conserved residues could potentially contribute toward functional integrity of homologues, and hence identifying such SVRs could be helpful in understanding the structural basis of protein function. Database URL: http://bo-protscience.fr/dosa/
蛋白质结构比对是蛋白质结构-功能分析的关键步骤。尽管蛋白质结构比对算法取得了进展,但一些局部构象相似的区域仍被错误地标为结构可变区域(SVR)。这些区域由于空间取向的差异而不能很好地叠加。结构比对数据库(DoSA)通过使用基于蛋白质块的算法重新对齐 SVR,解决了在全局蛋白质结构比对中局部结构相似性被掩盖的问题。一组蛋白质块是一种结构字母表,将蛋白质结构抽象为 16 个独特的局部结构基序。DoSA 提供了 74 个同源蛋白质的 705 对结构比对中 159780 个构象相似和 56140 个构象不同的 SVR 的独特信息。关于构象相似和不同 SVR 的信息可以帮助建模环区。可以想象,具有保守残基的构象相似 SVR 可能有助于同源物的功能完整性,因此识别这些 SVR 有助于理解蛋白质功能的结构基础。数据库 URL:http://bo-protscience.fr/dosa/