Song Guang
Graduate Program of Bioinformatics and Computational Biology, Iowa State University, Ames, Iowa.
Department of Computer Science, Iowa State University, Ames, Iowa.
Proteins. 2017 Sep;85(9):1741-1758. doi: 10.1002/prot.25331. Epub 2017 Jun 27.
In PDB, more than half of the entries are structure complexes and of these complexes, most are symmetric, composed of identical subunits. Complex formation is the way through which larger structures and even molecular machines are assembled and built in nature. In this work, we apply group theory and carry out a comprehensive study of the global motion patterns of protein complexes of various symmetries. The work presents for the first time a comprehensive list of all the symmetric, aesthetically pleasing, global motion patterns available to complexes of cyclic, dihedral, tetrahedral, or octahedral symmetry. Our results clearly demonstrate that complexes with the same symmetry will have the same global motion patterns and thus may function in a similar way, and that there are only a finite number of global motion patterns available to symmetric complexes as the number of protein symmetry groups is effectively finite. The work complements our current understanding of the principle of complex formation that has been mostly structure-based by providing novel dynamics-based insights. Furthermore, as dynamics is closely tied to function, these motion patterns can provide global insights into the general functional mechanisms of protein complexes.
在蛋白质数据银行(PDB)中,超过半数的条目是结构复合物,而在这些复合物中,大多数是对称的,由相同的亚基组成。复合物形成是自然界中组装和构建更大结构乃至分子机器的方式。在这项工作中,我们应用群论,对各种对称性的蛋白质复合物的整体运动模式进行了全面研究。这项工作首次给出了一个完整列表,列出了具有循环、二面体、四面体或八面体对称性的复合物所能呈现的所有对称、美观的整体运动模式。我们的结果清楚地表明,具有相同对称性的复合物将具有相同的整体运动模式,因此可能以相似的方式发挥作用,并且由于蛋白质对称群的数量实际上是有限的,对称复合物可用的整体运动模式数量也是有限的。这项工作通过提供基于新动力学的见解,补充了我们目前主要基于结构的对复合物形成原理的理解。此外,由于动力学与功能密切相关,这些运动模式可以为蛋白质复合物的一般功能机制提供整体见解。