Conformational structure of tyrosine, tyrosyl-glycine, and tyrosyl-glycyl-glycine by double resonance spectr

Abo-Riziq A.; Grace L.; Crews B.; Callahan M.P.; Van Mourik T.; De Vries M.S.

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Conformational structure of tyrosine, tyrosyl-glycine, and tyrosyl-glycyl-glycine by double resonance spectr

机译：酪氨酸，酪氨酰-甘氨酸和酪氨酰-甘氨酰-甘氨酸的构象结构的双共振光谱

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We investigated the variation in conformation for the amino acid tyrosine (Y), alone and in the small peptides tyrosine-glycine (YG) and tyrosine-glycine-glycine (YGG), in the gas phase by using UV-UV and IR-UV double resonance spectroscopy and density functional theory calculations. For tyrosine we found seven different conformations, for YG we found four different conformations, and for YGG we found three different conformations. As the peptides get larger, we observe fewer stable conformers, despite the increasing complexity and number of degrees of freedom. We find structural trends similar to those in phenylalanine-glycine-glycine (FGG) and tryptophan-glycine-glycine (WGG); however, the effect of dispersive forces in FGG for stabilizing a folded structure is replaced by that of hydrogen bonding in YGG.

机译：我们通过使用UV-UV和IR-UV研究了气相中单独的氨基酸酪氨酸（Y）和小肽酪氨酸-甘氨酸（YG）和酪氨酸-甘氨酸-甘氨酸（YGG）的构象变化双共振光谱法和密度泛函理论计算。对于酪氨酸，我们发现了七个不同的构象，对于YG，我们发现了四个不同的构象，对于YGG，我们发现了三个不同的构象。随着肽变大，尽管复杂性和自由度增加，我们观察到的稳定构象体也更少。我们发现与苯丙氨酸-甘氨酸-甘氨酸（FGG）和色氨酸-甘氨酸-甘氨酸（WGG）相似的结构趋势。然而，在FGG中分散力用于稳定折叠结构的作用被YGG中的氢键作用所代替。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2011年第23期|共11页
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Abo-Riziq A.; Grace L.; Crews B.; Callahan M.P.; Van Mourik T.; De Vries M.S.;
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1. Conformational structure of tyrosine, tyrosyl-glycine, and tyrosyl-glycyl-glycine by double resonance spectr [J] . Abo-Riziq A., Grace L., Crews B., The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2011,第23期

机译：酪氨酸，酪氨酰-甘氨酸和酪氨酰-甘氨酰-甘氨酸的构象结构的双共振光谱
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Conformational structure of tyrosine, tyrosyl-glycine, and tyrosyl-glycyl-glycine by double resonance spectr

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