uu.seUppsala University Publications
Change search
ReferencesLink to record
Permanent link

Direct link
beta-Sheet Structures and Dimer Models of the Two Major Tyrocidines, Antimicrobial Peptides from Bacillus aneurinolyticus
Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Computational and Systems Biology. Uppsala University, Science for Life Laboratory, SciLifeLab.
Show others and affiliations
2013 (English)In: Biochemistry, ISSN 0006-2960, E-ISSN 1520-4995, Vol. 52, no 44, 7798-7806 p.Article in journal (Refereed) Published
Abstract [en]

The structures of two major tyrocidines, antibiotic peptides from Bacillus aneurinolyticus, in an aqueous environment were studied using nuclear magnetic resonance spectroscopy, restrained molecular dynamics (MD), circular dichroism, and mass spectrometry. TrcA and TrcC formed beta-structures in an aqueous environment. Hydrophobic and hydrophilic residues were not totally separated into nonpolar and polar faces of the peptides, indicating that tyrocidines have low amphipathicity. In all the beta-structures, residues Trp(4)/Phe(4) and Orn(9) were on the same face. The ability of the peptides to form dimers in aqueous environment was studied by replica exchange MD simulations. Both peptides readily dimerize, and predominant complex structures were characterized through cluster analysis. The peptides formed dimers by either associating sideways or stacking on top of each other. Dimers formed through sideways association were mainly stabilized by hydrogen bonding, while the other dimers were stabilized by hydrophobic interactions. The ability of tyrocidine peptides to form different types of dimers with different orientations suggests that they can form larger aggregates, as well.

Place, publisher, year, edition, pages
2013. Vol. 52, no 44, 7798-7806 p.
National Category
Natural Sciences
URN: urn:nbn:se:uu:diva-211761DOI: 10.1021/bi401363mISI: 000326711100011OAI: oai:DiVA.org:uu-211761DiVA: diva2:669130
Available from: 2013-12-03 Created: 2013-12-02 Last updated: 2013-12-03Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
van der Spoel, David
By organisation
Computational and Systems BiologyScience for Life Laboratory, SciLifeLab
In the same journal
Natural Sciences

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 181 hits
ReferencesLink to record
Permanent link

Direct link