Hazari Amaruka, Sawaya Michael R, Vlahakis Niko, Johnstone Timothy C, Boyer David, Rodriguez Jose, Eisenberg David, Raskatov Jevgenij A
Dept. of Chemistry and Biochemistry, UCSC 1156 High Street Santa Cruz CA 95064 USA
Dept. of Chemistry and Biochemistry, UCLA 607 Charles E. Young Drive East Box 951569 Los Angeles CA 90095-1569 USA.
Chem Sci. 2022 Jul 15;13(31):8947-8952. doi: 10.1039/d2sc02531k. eCollection 2022 Aug 10.
The rippled β-sheet is a peptidic structural motif related to but distinct from the pleated β-sheet. Both motifs were predicted in the 1950s by Pauling and Corey. The pleated β-sheet was since observed in countless proteins and peptides and is considered common textbook knowledge. Conversely, the rippled β-sheet only gained a meaningful experimental foundation in the past decade, and the first crystal structural study of rippled β-sheets was published as recently as this year. Noteworthy, the crystallized assembly stopped at the rippled β-dimer stage. It did not form the extended, periodic rippled β-sheet layer topography hypothesized by Pauling and Corey, thus calling the validity of their prediction into question. NMR work conducted since moreover shows that certain model peptides rather form pleated and not rippled β-sheets in solution. To determine whether the periodic rippled β-sheet layer configuration is viable, the field urgently needs crystal structures. Here we report on crystal structures of two racemic and one quasi-racemic aggregating peptide systems, all of which yield periodic rippled antiparallel β-sheet layers that are in excellent agreement with the predictions by Pauling and Corey. Our study establishes the rippled β-sheet layer configuration as a motif with general features and opens the road to structure-based design of unique supramolecular architectures.
波纹状β-折叠是一种肽结构基序,与褶皱状β-折叠相关但又有所不同。这两种基序都是在20世纪50年代由鲍林和科里预测出来的。此后,褶皱状β-折叠在无数蛋白质和肽中被观察到,被视为常见的教科书知识。相反,波纹状β-折叠直到过去十年才获得有意义的实验依据,而关于波纹状β-折叠的首个晶体结构研究直到今年才发表。值得注意的是,结晶组装在波纹状β-二聚体阶段就停止了。它没有形成鲍林和科里所假设的延伸的、周期性的波纹状β-折叠层形貌,因此对他们预测的有效性提出了质疑。此外,此后进行的核磁共振研究表明,某些模型肽在溶液中更倾向于形成褶皱状而非波纹状β-折叠。为了确定周期性波纹状β-折叠层结构是否可行,该领域迫切需要晶体结构。在此,我们报道了两个外消旋和一个准外消旋聚集肽系统的晶体结构,所有这些系统都产生了与鲍林和科里的预测高度一致的周期性波纹状反平行β-折叠层。我们的研究确立了波纹状β-折叠层结构作为一种具有普遍特征的基序,并为独特超分子结构的基于结构的设计开辟了道路。