Investigation of secondary structure elements by IR/UV double resonance spectroscopy: analysis of an isolated beta-sheet model system.
Investigation of secondary structure elements by IR/UV double resonance spectroscopy: analysis of an isolated beta-sheet model system.
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通过红外/紫外双共振光谱研究二级结构元素：分离的β-折叠模型系统的分析。
DOI：
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发表时间：
2008
影响因子：
15
通讯作者：
M. Gerhards
中科院分区：
文献类型：
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作者：
H. Fricke;A. Funk;T. Schrader;M. Gerhards
利用分子束实验，通过IR/R2 PI双共振光谱以及从头算和密度泛函理论计算，研究了一个孤立的β-折叠模型体系.作为唯一的分子间组装，β-折叠基序通过两个分离的肽分子的自发二聚化形成。该二级结构由三肽模型Ac-Val-Tyr（Me）-NHMe产生，没有任何进一步的环境以形成结合基序，其通过特征酰胺A和I振动进行分析。实验和理论研究产生的反平行β-片层模型的分配。对分离的β-折叠模型进行的详细光谱分析的结果表明，存在β-折叠结构的固有性质，其可以在没有溶剂或肽环境的情况下形成。
An isolated beta-sheet model system is investigated in a molecular beam experiment by means of mass- and isomer-selective IR/R2PI double resonance spectroscopy as well as ab initio and DFT calculations. As the exclusive intermolecular assembly, a beta-sheet motif is formed by spontaneous dimerization of two isolated peptide molecules. This secondary structure is produced from the tripeptide model Ac-Val-Tyr(Me)-NHMe without any further environment to form the binding motif which is analyzed by both the characteristic amide A and I vibrations. The experimental and theoretical investigations yield the assignment to an antiparallel beta-sheet model. The result of this detailed spectroscopic analysis on an isolated beta-sheet model indicates that there are intrinsic properties of a beta-sheet structure which can be formed without a solvent or a peptidic environment.