Comprehensive structural characterization of the cyclic disulphide-bridged nonapeptides, Arg- and Lys-conopressins

Gábor Janzsó, G. Rákhely, Balázs Leitgeb

Research output: Contribution to journalArticle

Abstract

Arg-conopressin-S and Lys-conopressin-G are cyclic disulphide-bridged nonapeptides isolated from the venom of cone snails. We performed a comprehensive conformational analysis for the cis and trans isomers of these conopeptides, in order to identify their characteristic structural and conformational features. In the course of our theoretical study, the Φ-Ψ and χ1 conformational spaces were explored in detail and the conformational distributions were compared to each other. For both cis and trans isomers of conopressins, the characteristic secondary structural elements and intramolecular H-bonds were identified. Our results pointed out that various turn structures stabilized by typical intramolecular H-bonds could be observed in the conformers of these conopeptides. Comparing the different conformational features of the cis and trans isomers of conopressins disclosed that several of them could be found for both isomers, however, structural properties characteristic for only the cis or trans isomer were also identified. Altogether, our comprehensive conformational study provided a detailed description of the three-dimensional (3D) structure of both conopressins.

Original languageEnglish
Pages (from-to)881-888
Number of pages8
JournalJournal of Molecular Graphics and Modelling
Volume27
Issue number8
DOIs
Publication statusPublished - Jun 2009

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disulfides
Disulfides
Isomers
isomers
snails
Venoms
Cones
Structural properties
cones
conopressin G

Keywords

  • Cis-trans isomerization
  • Conformational analysis
  • Conformational space
  • Conopressin
  • Intramolecular H-bond
  • Ramachandran plot
  • Turn structure

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Computer Graphics and Computer-Aided Design
  • Materials Chemistry

Cite this

Comprehensive structural characterization of the cyclic disulphide-bridged nonapeptides, Arg- and Lys-conopressins. / Janzsó, Gábor; Rákhely, G.; Leitgeb, Balázs.

In: Journal of Molecular Graphics and Modelling, Vol. 27, No. 8, 06.2009, p. 881-888.

Research output: Contribution to journalArticle

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