Allosteric Mutation Analysis and Polymorphism of Signaling database

The AlloMAPS database provides data on the energetics of communication in proteins with well-documented allosteric regulation, allosteric signalling in PDBselect chains, and allosteric effects of mutations. 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.

AlloMAPS数据库提供三类核心数据：具备充分文献佐证的别构调控（allosteric regulation）蛋白质的通讯能量学数据、PDBselect序列链中的别构信号传导（allosteric signalling）数据，以及突变介导的别构效应数据。除涵盖已知功能位点与调控位点之间的别构信号传导能量特征外，用户还可探究由这些位点结合、单核苷酸多态性（SNPs）以及用户指定突变所引发的别构调控效应。该数据库为每一条蛋白质/蛋白链均提供了别构信号传导图谱（Allosteric Signaling Maps, ASMs），此类图谱通过对稳定型与去稳定型突变以及序列位置引发的调控范围开展全面计算扫描而生成。

搜集汇总

背景与挑战

背景概述

AlloMAPS数据库专注于提供蛋白质变构调节相关的能量学数据，包括有明确记录的变构蛋白质、PDBselect链中的信号传递以及突变效应。它通过计算生成变构信号图（ASMs），用于分析突变稳定性和调节范围，并整合了AlphaFold结构、Pfam结构域模型和GPCRs等扩展内容。