人类互动组的结构覆盖范围
Kayra Kosoglu1, Zeynep Aydin1, Nurcan Tuncbag2,3
1Computational Sciences and Engineering, College of Engineering, Koc University, 34450 Istanbul, Turkey.
Briefings in bioinformatics
|January 5, 2024
概括
蛋白质与蛋白质相互作用的结构建模对于理解细胞过程至关重要. 这项研究揭示了人类互动体的有限的实验结构覆盖范围,突出了像AlphaFold.com这样的计算建模方法的需要.
科学领域:
- 结构生物学 结构生物学
- 计算生物学 计算生物学
- 生物信息学是一种生物信息学.
背景情况:
- 细胞功能依赖于相互作用体内的复杂的蛋白质-蛋白质相互作用.
- 在分子水平上理解这些相互作用需要详细的结构信息.
- 评估当前的人类互动组的结构覆盖面对于识别知识差距至关重要.
研究的目的:
- 将实验性蛋白质结构映射到人类蛋白质组中.
- 评估人类互动组的结构覆盖范围.
- 探索用于建模蛋白相互作用的计算方法的潜力.
主要方法:
- 将实验结构映射到人类蛋白质组.
- 整合同质模型和深度学习 (AlphaFold) 进行结构丰富.
- 从文献和数据库 (HuRI,STRING,HIPPIE) 中收集和整理人类互动组数据.
- 使用实验和建模结构,包括对接方法,分析结构覆盖面.
主要成果:
- 实验结构仅涵盖了人类互动组中所有二进制蛋白质-蛋白质相互作用的3.95%.
- 像AlphaFold这样的补充方法显著丰富了结构覆盖范围.
- 来自HuRI (12.97%) 和过的STRING/HIPPIE数据集 (73.62%/32.94%) 的大量相互作用显示了结构建模的潜力.
结论:
- 人类互动组目前具有有限的实验确定结构覆盖范围.
- 包括深度学习在内的计算建模对于弥合结构互动组数据的差距至关重要.
- 本研究提供了对人类蛋白质组和相互作用组的结构覆盖面的全面概述.
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