Single-molecule electrophoresis of β-hairpin peptides by electrical recordings and Langevin dynamics simulations

Carl P. Goodrich, Serdal Kirmizialtin, Beatrice M. Huyghues-Despointes, Aiping Zhu, J. Martin Scholtz, Dmitrii E. Makarov, Liviu Movileanu

Research output: Contribution to journalArticle

Abstract

We used single-channel electrical recordings and Langevin molecular dynamics simulations to explore the electrophoretic translocation of various β-hairpin peptides across the staphylococcal α-hemolysin (αHL) protein pore at single-molecule resolution. The β-hairpin peptides, which varied in their folding properties, corresponded to the C terminal residues of the B1 domain of protein G. The translocation time was strongly dependent on the electric force and was correlated with the folding features of the β-hairpin peptides. Highly unfolded peptides entered the pore in an extended conformation, resulting in fast single-file translocation events. In contrast, the translocation of the folded β-hairpin peptides occurred more slowly. In this case, the β-hairpin peptides traversed the αHL pore in a misfolded or fully folded conformation. This study demonstrates that the interaction between a polypeptide and a β-barrel protein pore is dependent on the folding features of the polypeptide.

Original languageEnglish (US)
Pages (from-to)3332-3335
Number of pages4
JournalJournal of Physical Chemistry B
Volume111
Issue number13
DOIs
StatePublished - Apr 5 2007

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electrophoresis
Electrophoresis
peptides
recording
Peptides
Molecules
Computer simulation
folding
porosity
molecules
simulation
polypeptides
proteins
Hemolysin Proteins
Conformations
files
Porins
molecular dynamics
Molecular dynamics
interactions

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Goodrich, C. P., Kirmizialtin, S., Huyghues-Despointes, B. M., Zhu, A., Scholtz, J. M., Makarov, D. E., & Movileanu, L. (2007). Single-molecule electrophoresis of β-hairpin peptides by electrical recordings and Langevin dynamics simulations. Journal of Physical Chemistry B, 111(13), 3332-3335. https://doi.org/10.1021/jp071364h

Single-molecule electrophoresis of β-hairpin peptides by electrical recordings and Langevin dynamics simulations. / Goodrich, Carl P.; Kirmizialtin, Serdal; Huyghues-Despointes, Beatrice M.; Zhu, Aiping; Scholtz, J. Martin; Makarov, Dmitrii E.; Movileanu, Liviu.

In: Journal of Physical Chemistry B, Vol. 111, No. 13, 05.04.2007, p. 3332-3335.

Research output: Contribution to journalArticle

Goodrich, CP, Kirmizialtin, S, Huyghues-Despointes, BM, Zhu, A, Scholtz, JM, Makarov, DE & Movileanu, L 2007, 'Single-molecule electrophoresis of β-hairpin peptides by electrical recordings and Langevin dynamics simulations', Journal of Physical Chemistry B, vol. 111, no. 13, pp. 3332-3335. https://doi.org/10.1021/jp071364h
Goodrich, Carl P. ; Kirmizialtin, Serdal ; Huyghues-Despointes, Beatrice M. ; Zhu, Aiping ; Scholtz, J. Martin ; Makarov, Dmitrii E. ; Movileanu, Liviu. / Single-molecule electrophoresis of β-hairpin peptides by electrical recordings and Langevin dynamics simulations. In: Journal of Physical Chemistry B. 2007 ; Vol. 111, No. 13. pp. 3332-3335.
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