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Native like helices in a specially designed β peptide in the gas phase.

Publication ,  Journal Article
Schubert, F; Pagel, K; Rossi, M; Warnke, S; Salwiczek, M; Koksch, B; von Helden, G; Blum, V; Baldauf, C; Scheffler, M
Published in: Physical chemistry chemical physics : PCCP
February 2015

In the natural peptides, helices are stabilized by hydrogen bonds that point backward along the sequence direction. Until now, there is only little evidence for the existence of analogous structures in oligomers of conformationally unrestricted β amino acids. We specifically designed the β peptide Ac-(β(2)hAla)6-LysH(+) to form native like helical structures in the gas phase. The design follows the known properties of the peptide Ac-Ala6-LysH(+) that forms a α helix in isolation. We perform ion-mobility mass-spectrometry and vibrational spectroscopy in the gas phase, combined with state-of-the-art density-functional theory simulations of these molecular systems in order to characterize their structure. We can show that the straightforward exchange of alanine residues for the homologous β amino acids generates a system that is generally capable of adopting native like helices with backward oriented H-bonds. By pushing the limits of theory and experiments, we show that one cannot assign a single preferred structure type due to the densely populated energy landscape and present an interpretation of the data that suggests an equilibrium of three helical structures.

Duke Scholars

Published In

Physical chemistry chemical physics : PCCP

DOI

EISSN

1463-9084

ISSN

1463-9076

Publication Date

February 2015

Volume

17

Issue

7

Start / End Page

5376 / 5385

Related Subject Headings

  • Protein Structure, Secondary
  • Peptides
  • Models, Molecular
  • Hydrogen Bonding
  • Gases
  • Chemical Physics
  • Amino Acids
  • Amino Acid Sequence
  • 51 Physical sciences
  • 40 Engineering
 

Citation

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Schubert, F., Pagel, K., Rossi, M., Warnke, S., Salwiczek, M., Koksch, B., … Scheffler, M. (2015). Native like helices in a specially designed β peptide in the gas phase. Physical Chemistry Chemical Physics : PCCP, 17(7), 5376–5385. https://doi.org/10.1039/c4cp05216a
Schubert, Franziska, Kevin Pagel, Mariana Rossi, Stephan Warnke, Mario Salwiczek, Beate Koksch, Gert von Helden, Volker Blum, Carsten Baldauf, and Matthias Scheffler. “Native like helices in a specially designed β peptide in the gas phase.Physical Chemistry Chemical Physics : PCCP 17, no. 7 (February 2015): 5376–85. https://doi.org/10.1039/c4cp05216a.
Schubert F, Pagel K, Rossi M, Warnke S, Salwiczek M, Koksch B, et al. Native like helices in a specially designed β peptide in the gas phase. Physical chemistry chemical physics : PCCP. 2015 Feb;17(7):5376–85.
Schubert, Franziska, et al. “Native like helices in a specially designed β peptide in the gas phase.Physical Chemistry Chemical Physics : PCCP, vol. 17, no. 7, Feb. 2015, pp. 5376–85. Epmc, doi:10.1039/c4cp05216a.
Schubert F, Pagel K, Rossi M, Warnke S, Salwiczek M, Koksch B, von Helden G, Blum V, Baldauf C, Scheffler M. Native like helices in a specially designed β peptide in the gas phase. Physical chemistry chemical physics : PCCP. 2015 Feb;17(7):5376–5385.
Journal cover image

Published In

Physical chemistry chemical physics : PCCP

DOI

EISSN

1463-9084

ISSN

1463-9076

Publication Date

February 2015

Volume

17

Issue

7

Start / End Page

5376 / 5385

Related Subject Headings

  • Protein Structure, Secondary
  • Peptides
  • Models, Molecular
  • Hydrogen Bonding
  • Gases
  • Chemical Physics
  • Amino Acids
  • Amino Acid Sequence
  • 51 Physical sciences
  • 40 Engineering