Host-guest chemistry in the gas phase: Complex formation with 18-crown-6 enhances helicity of alanine-based peptides

Ko J.Y.; Heo S.W.; Lee J.H.; Oh H.B.; Kim H.; Kim H.I.

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Host-guest chemistry in the gas phase: Complex formation with 18-crown-6 enhances helicity of alanine-based peptides

机译：气相中的客体-客体化学：与18-crown-6的复合物形成可增强基于丙氨酸的肽的螺旋度

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The gas-phase helix propensities of alanine-based polypeptides are studied with different locations of a Lys residue and host-guest interactions with 18-Crown-6 (18C6). A series of model peptides Ac-Ala _(9-n)-LysH ~+-Ala _n (n = 0, 1, 3, 5, 7, and 9) is examined alone and with 18C6 using traveling wave ion mobility mass spectrometry combined with molecular dynamics (MD) simulations. The gas-phase helices are observed from the peptides whose Lys residue is located close to the C-terminus so that the Lys exerts its capping effect on the C-terminal carbonyl groups. The peptides, which interact with 18C6 in the gas phase, show enhanced helical propensities. The enhanced helicity of the peptide in the complex is attributed by isolation of the Lys butylammonium group from the helix backbone and the interaction of methylene groups of 18C6, which possess localized positive partial charges, with C-terminal carbonyl groups serving as a cap to stabilize the helix.

机译：研究了基于丙氨酸的多肽的气相螺旋倾向，分析了赖氨酸残基的不同位置以及宿主与18-Crown-6（18C6）的客体相互作用。一系列模型肽Ac-Ala _（9-n）-LysH〜+ -Ala _n（n = 0、1、3、5、7和9）分别通过行波离子迁移率质谱法和18C6进行检测结合分子动力学（MD）模拟。从其Lys残基位于C末端附近的肽中观察到气相螺旋，因此Lys对C末端羰基施加封端作用。在气相中与18C6相互作用的肽显示出增强的螺旋倾向。络合物中肽的螺旋度增强归因于从螺旋骨架中分离了赖氨酸丁基铵基团，以及具有局部正电荷的18C6亚甲基的相互作用，其中C端羰基充当稳定帽螺旋线。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2011年第49期|共6页
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Ko J.Y.; Heo S.W.; Lee J.H.; Oh H.B.; Kim H.; Kim H.I.;
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1. Host-guest chemistry in the gas phase: Complex formation with 18-crown-6 enhances helicity of alanine-based peptides [J] . Ko J.Y., Heo S.W., Lee J.H., The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2011,第49期

机译：气相中的客体-客体化学：与18-crown-6的复合物形成可增强基于丙氨酸的肽的螺旋度
2. α-Helical versus 3_(10)-Helical Conformation of Alanine-Based Peptides in Aqueous Solution: An Electron Spin Resonance Investigation [J] . Mark L. Smythe, Clovis R. Nakaie, Garland R. Marshall Journal of the American Chemical Society . 1995,第42期

机译：丙氨酸基肽在水溶液中的α-螺旋与3_（10）-螺旋构象：电子自旋共振研究
3. Host-Guest Chemistry in the Gas Phase: Selected Fragmentations of CB[6]-Peptide Complexes at Lysine Residues and Its Utility to Probe the Structures of Small Proteins [J] . Sung Woo Heo, Tae Su Choi, Kyung Man Park, Analytical chemistry . 2011,第20期

机译：气相中的宿主-客体化学：赖氨酸残基上CB [6]-肽复合物的选定片段化及其对探测小蛋白结构的实用性
4. Host-Guest Chemistry in the Gas Phase: Investigation of the Charge Shifts and Protein Conformation Dynamics Using Cucurbit6uril [C] . Hugh I. Kim, Sung Woo Heo, Jong Wha Lee, American Society for Mass Spectrometry Conference on Mass Spectrometry and Allied Topics . 2012

机译：宿主的客人化学在气相中：使用葫芦的电荷变化和蛋白质构象动态的调查6 URIL
5. Gas phase studies of the host-guest ion chemistry of calixarenes and natural ionophores. [D] . Wong, Philip Shu Hung. 1992

机译：杯芳烃和天然离子载体的客体离子化学气相研究。
6. Helical Conformation of the SEVI Precursor Peptide PAP248-286 a Dramatic Enhancer of HIV Infectivity Promotes Lipid Aggregation and Fusion [O] . Jeffrey R. Brender, Kevin Hartman, Lindsey M. Gottler, 2009

机译：SEVI前体肽PAP248-286的螺旋构象它是HIV感染力的显着增强剂可促进脂质聚集和融合。
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Host-guest chemistry in the gas phase: Complex formation with 18-crown-6 enhances helicity of alanine-based peptides

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