Ahmed, Z and Myshakina, NS and Asher, SA
(2009)
Dependence of the AmII'p proline Raman band on peptide conformation.
Journal of Physical Chemistry B, 113 (32).
11252 - 11259.
ISSN 1520-6106
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Abstract
We utilized UV resonance Raman (UVRR) measurements and density functional theory (DFT) calculations to relate the AmII'p frequency to the Ψ angle. The AmII'p frequency shifts by ∼ 25 cm-1 as the Ψ angle is varied over allowed angles of the Pro peptide bond. The AmII'p frequency does not show any significant dependence on the Ψ dihedral angle. The conformation sensitivity of the AmII'p frequency derives from conformation-induced changes in the planarity of the Pro peptide bond; Ψ angle changes push the amide nitrogen out of the peptide bond plane. We use this AmII'p frequency dependence on the Ψ angle to track temperature-induced conformation changes in a polyproline peptide. The temperature-induced 7 cm -1 downshift in the AmII'p frequency of the polyproline peptide results from an ∼45° rotation of the Ψ dihedral angle from Ψ = 145° (ideal PPII conformation) to Ψ = 100° (collapsed PPII conformation). © 2009 American Chemical Society.
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Details
Item Type: |
Article
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Status: |
Published |
Creators/Authors: |
Creators | Email | Pitt Username | ORCID ![](/images/orcid_id_24x24.png) |
---|
Ahmed, Z | | | | Myshakina, NS | | | | Asher, SA | asher@pitt.edu | ASHER | |
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Date: |
13 August 2009 |
Date Type: |
Publication |
Journal or Publication Title: |
Journal of Physical Chemistry B |
Volume: |
113 |
Number: |
32 |
Page Range: |
11252 - 11259 |
DOI or Unique Handle: |
10.1021/jp809857y |
Schools and Programs: |
Dietrich School of Arts and Sciences > Chemistry |
Refereed: |
Yes |
ISSN: |
1520-6106 |
MeSH Headings: |
Models, Molecular; Peptides--chemistry; Proline--chemistry; Protein Conformation; Spectrophotometry, Ultraviolet; Spectrum Analysis, Raman--methods |
Other ID: |
NLM NIHMS134652, NLM PMC2742972 |
PubMed Central ID: |
PMC2742972 |
PubMed ID: |
19627094 |
Date Deposited: |
08 Feb 2013 21:04 |
Last Modified: |
12 Jun 2021 23:55 |
URI: |
http://d-scholarship-dev.library.pitt.edu/id/eprint/17231 |
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