Yu Lanlan, Zheng Yongfang, Fang Xiaocui, Zou Yimin, Wang Chenxuan, Yang Yanlian, Wang Chen
State Key Laboratory of Medical Molecular Biology, Institute of Basic Medical Sciences, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing, China.
CAS Key Laboratory of Biological Effects of Nanomaterials and Nanosafety, CAS Key Laboratory of Standardization and Measurement for Nanotechnology of Nanomaterials and Nanosafety, CAS Center for Excellence in Nanoscience, CAS Center for Excellence in Brain Science, National Center for Nanoscience and Technology, Beijing, China.
J Pept Sci. 2021 Jun;27(6):e3310. doi: 10.1002/psc.3310. Epub 2021 Mar 3.
We have examined in this contribution the composition dependence of binding characteristics in peptide-peptide interactions between an oligopeptide octa-glycine and a series of tryptophan-containing octapeptides. The binding energy associated with tryptophan-glycine interactions manifests pronounced stepwise binding characteristics as the number of tryptophan increases from 0 to 8 in the octapeptides consisting only of glycine and can be attributed to mono-, di-, and tri-valent peptide-peptide interactions. At the same time, only weak fluctuations in binding energy were observed as the number of tryptophan increases from 2 to 7. Such distinctive nonlinearity of composition-dependent tryptophan-glycine binding energy characteristics due to continuously varying tryptophan compositions in the octapeptides could be considered as a reflection of combinatorial contributions due to the hydrogen bonds originated from the indole moieties of tryptophan with the main chains of octapeptide of glycine containing N-H and C=O moieties and the van der Waals interactions (including π-π and π-CH interactions) between peptides.
在本论文中，我们研究了八聚甘氨酸寡肽与一系列含色氨酸的八肽之间肽 - 肽相互作用中结合特性的组成依赖性。随着仅由甘氨酸组成的八肽中色氨酸数量从0增加到8，与色氨酸 - 甘氨酸相互作用相关的结合能表现出明显的逐步结合特性，这可归因于单价、二价和三价肽 - 肽相互作用。同时，当色氨酸数量从2增加到7时，仅观察到结合能的微弱波动。由于八肽中色氨酸组成不断变化，色氨酸 - 甘氨酸结合能特性的这种独特的组成依赖性非线性可被视为组合贡献的反映，这些贡献来自色氨酸吲哚部分与含N - H和C = O基团的甘氨酸八肽主链之间的氢键以及肽之间的范德华相互作用（包括π - π和π - CH相互作用）。
