Conformational Structure of Tyrosine, Tyrosyl-glycine, and Tyrosyl-glycyl-glycine by Double Resonance Spectroscopy

Ali Abo-Riziq, Louis Grace, Bridgit Crews, Michael P. Callahan, Tanja van Mourik, Mattanjah S. de Vries

Research output: Contribution to journalArticlepeer-review

47 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)6077-6087
Number of pages11
JournalJournal of Physical Chemistry A
Volume115
Issue number23
DOIs
Publication statusPublished - 16 Jun 2011

Keywords

  • DESORPTION-VOLATILIZATION METHOD
  • QUANTUM-CHEMICAL CALCULATIONS
  • AB-INITIO CALCULATIONS
  • AMINO-ACID TRYPTOPHAN
  • ION-DIP SPECTROSCOPY
  • GAS-PHASE
  • SUPERSONIC JET
  • ELECTRONIC SPECTROSCOPY
  • LASER SPECTROSCOPY
  • MOLECULAR-BEAM

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