Computational Sciences and Engineering, College of Engineering, Koc University, 34450 Istanbul, Turkey.
School of Medicine, Koc University, 34450 Istanbul, Turkey.
Brief Bioinform. 2023 Nov 22;25(1). doi: 10.1093/bib/bbad496.
Complex biological processes in cells are embedded in the interactome, representing the complete set of protein-protein interactions. Mapping and analyzing the protein structures are essential to fully comprehending these processes' molecular details. Therefore, knowing the structural coverage of the interactome is important to show the current limitations. Structural modeling of protein-protein interactions requires accurate protein structures. In this study, we mapped all experimental structures to the reference human proteome. Later, we found the enrichment in structural coverage when complementary methods such as homology modeling and deep learning (AlphaFold) were included. We then collected the interactions from the literature and databases to form the reference human interactome, resulting in 117 897 non-redundant interactions. When we analyzed the structural coverage of the interactome, we found that the number of experimentally determined protein complex structures is scarce, corresponding to 3.95% of all binary interactions. We also analyzed known and modeled structures to potentially construct the structural interactome with a docking method. Our analysis showed that 12.97% of the interactions from HuRI and 73.62% and 32.94% from the filtered versions of STRING and HIPPIE could potentially be modeled with high structural coverage or accuracy, respectively. Overall, this paper provides an overview of the current state of structural coverage of the human proteome and interactome.
细胞中的复杂生物过程嵌入在相互作用组中,代表了完整的蛋白质-蛋白质相互作用集合。映射和分析蛋白质结构对于全面理解这些过程的分子细节至关重要。因此,了解相互作用组的结构覆盖范围对于显示当前的局限性很重要。蛋白质-蛋白质相互作用的结构建模需要准确的蛋白质结构。在这项研究中,我们将所有实验结构映射到参考人类蛋白质组上。之后,当包括同源建模和深度学习(AlphaFold)等补充方法时,我们发现结构覆盖度得到了丰富。然后,我们从文献和数据库中收集相互作用,形成参考人类相互作用组,得到 117897 个非冗余相互作用。当我们分析相互作用组的结构覆盖范围时,我们发现实验确定的蛋白质复合物结构数量很少,仅占所有二聚相互作用的 3.95%。我们还分析了已知和建模的结构,以潜在地使用对接方法构建结构相互作用组。我们的分析表明,HuRI 中的 12.97%的相互作用以及 STRING 和 HIPPIE 的过滤版本中的 73.62%和 32.94%的相互作用分别可以具有较高的结构覆盖率或准确性。总体而言,本文概述了人类蛋白质组和相互作用组的结构覆盖范围的现状。