Change search
ReferencesLink to record
Permanent link

Direct link
Vibrational Coupling between Helices Influences the Amide I Infrared Absorption of Proteins: Application to Bacteriorhodopsin and Rhodopsin
Stockholm University, Faculty of Science, Department of Biochemistry and Biophysics.
Stockholm University, Faculty of Science, Department of Biochemistry and Biophysics.
2012 (English)In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 116, no 15, 4448-4456 p.Article in journal (Refereed) Published
Abstract [en]

The amide 1 spectrum of multimers of helical protein segments was simulated using transition dipole coupling (TDC) for long-range interactions between individual amide oscillators and DFT data from dipeptides (la Cour Jansen et al. J. Chem. Phys. 2006, 125, 44312) for nearest neighbor interactions. Vibrational coupling between amide groups on different helices shift the helix absorption to higher wavenumbers. This effect is small for helix dimers (1 cm(-1)) at 10 angstrom distance and only moderately affected by changes in the relative orientation between the helices. However, the effect becomes considerable when several helices are bundled in membrane proteins. Particular examples are the 7-helix membrane proteins bacteriorhodopsin (BR) and rhodopsin, where the upshift is 4.3 and 5.3 cm(-1) respectively, due to interhelical coupling within a BR monomer. A further upshift of 4.0 cm(-1) occurs when BR monomers associate to trimers. We propose that interhelical vibrational coupling explains the experimentally observed unusually high wavenumber of the amide I band of BR

Place, publisher, year, edition, pages
2012. Vol. 116, no 15, 4448-4456 p.
National Category
Biological Sciences
URN: urn:nbn:se:su:diva-80277DOI: 10.1021/jp300329kISI: 000302924800006OAI: diva2:557189


Reprinted with permission from Copyright 2012 American Chemical Society.

Available from: 2012-09-28 Created: 2012-09-17 Last updated: 2012-09-28Bibliographically approved

Open Access in DiVA

fulltext(3046 kB)434 downloads
File information
File name FULLTEXT01.pdfFile size 3046 kBChecksum SHA-512
Type fulltextMimetype application/pdf

Other links

Publisher's full text

Search in DiVA

By author/editor
Barth, Andreas
By organisation
Department of Biochemistry and Biophysics
In the same journal
Journal of Physical Chemistry B
Biological Sciences

Search outside of DiVA

GoogleGoogle Scholar
Total: 434 downloads
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: 28 hits
ReferencesLink to record
Permanent link

Direct link