title: Conformational structure of tyrosine, tyrosyl-glycine, and tyrosyl-glycyl-glycine by double resonance spectroscopy.
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.
authors.affiliation: Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106, USA.
authors.forename: Ali
authors.initials: A
authors.lastname: Abo-Riziq
authors.forename: Louis
authors.initials: L
authors.lastname: Grace
authors.forename: Bridgit
authors.initials: B
authors.lastname: Crews
authors.forename: Michael P
authors.initials: MP
authors.lastname: Callahan
authors.forename: Tanja
authors.initials: T
authors.lastname: van Mourik
authors.forename: Mattanjah S
authors.initials: MS
authors.lastname: de Vries
mesh_terms: D005998:Glycine / Q000737:chemistry*; D008968:Molecular Conformation; D009842:Oligopeptides / Q000737:chemistry*; D011789:Quantum Theory; D013055:Spectrophotometry, Infrared; D013056:Spectrophotometry, Ultraviolet; D014443:Tyrosine / Q000737:chemistry*
chemical_list: D009842:Oligopeptides; C044757:tyrosyl-glycyl-glycine; D014443:Tyrosine; D005998:Glycine