Bioinformatics Institute, Agency for Science, Technology and Research (A*STAR), 30 Biopolis Street, #07-01, Matrix, 138671 Singapore.
Department of Biological Sciences (DBS), National University of Singapore (NUS), 8 Medical Drive, 117579 Singapore.
Nucleic Acids Res. 2019 Jan 8;47(D1):D265-D270. doi: 10.1093/nar/gky1028.
AlloMAPS database provides data on the causality and energetics of allosteric communication obtained with the structure-based statistical mechanical model of allostery (SBSMMA). The database contains data on allosteric signaling in three sets of proteins and protein chains: (i) 46 proteins with comprehensively annotated functional and allosteric sites; (ii) 1908 protein chains from PDBselect set of chains with low (<25%) sequence identity; (iii) 33 proteins with more than 50 known pathological SNPs in each molecule. In addition to energetics of allosteric signaling between known functional and regulatory sites, allosteric modulation caused by the binding to these sites, by SNPs, and by mutations designated by the user can be explored. Allosteric Signaling Maps (ASMs), which are produced via the exhaustive computational scanning for stabilizing and destabilizing mutations and for the modulation range caused by the sequence position are available for each protein/protein chain in the database. We propose to use this database for evaluating the effects of allosteric signaling in the search for latent regulatory sites and in the design of allosteric sites and effectors. The database is freely available at: http://allomaps.bii.a-star.edu.sg.
AlloMAPS 数据库提供了基于结构的变构统计力学模型（SBSMMA）获得的变构通讯因果关系和能量学的数据。该数据库包含三组蛋白质和蛋白质链的变构信号数据：（i）46 个具有全面注释功能和变构位点的蛋白质；（ii）1908 条来自 PDBselect 低序列同一性（<25%）链集的蛋白质链；（iii）33 个每个分子中具有 50 多个已知病理性 SNP 的蛋白质。除了已知功能和调节位点之间变构信号的能量学之外，还可以探索这些位点的结合、SNP 和用户指定的突变引起的变构调节。对于数据库中的每个蛋白质/蛋白质链，都可以获得通过对稳定和不稳定突变以及由序列位置引起的调制范围进行详尽的计算扫描生成的变构信号图（ASM）。我们建议在搜索潜在调节位点和设计变构位点和效应物时，使用该数据库评估变构信号的影响。该数据库可免费获取：http://allomaps.bii.a-star.edu.sg。
