Publication
Title
Is Raman optical activity spectroscopy sensitive to beta-turns in proteins? Secondary structure and side-chain dependence
Author
Abstract
beta-turns are essential for the structure and function of proteins. The spectroscopic technique Raman optical activity (ROA) has been suggested to be sensitive to such structural elements of proteins in solution. Three spectral features have been reported to mark beta-turns in protein ROA spectra: being a negative band at 1220 cm(-1), positive intensity around 1290 cm(-1) and negative intensity around 1340-1380 cm(-1). In this work, density functional theory calculations demonstrated that these assignments are inaccurate as these spectral regions are not robust and sense the exact secondary structure surrounding the beta-turn as well. Furthermore, it was demonstrated that the amino acid side-chains affect the exact ROA patterns which can direct future research to perform a systematic analysis of the contributions of the side-chains.
Language
English
Source (journal)
ChemPhysChem: a European journal of chemical physics and physical chemistry. - Weinheim
Publication
Weinheim : 2018
ISSN
1439-4235
Volume/pages
19:22(2018), p. 3134-3143
ISI
000450672100020
Pubmed ID
30204288
Full text (Publisher's DOI)
Full text (open access)
Full text (publisher's version - intranet only)
UAntwerpen
Faculty/Department
Research group
Project info
4D Protein Structure.
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 10.12.2018
Last edited 26.07.2021
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