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Efforts toward Developing Probes of Protein Dynamics: Vibrational Dephasing and Relaxation of Carbon–Deuterium Stretching Modes in Deuterated Leucine
Journal article   Peer reviewed

Efforts toward Developing Probes of Protein Dynamics: Vibrational Dephasing and Relaxation of Carbon–Deuterium Stretching Modes in Deuterated Leucine

Jörg Zimmermann, Kenan Gundogdu, Matthew E Cremeens, Jigar N Bandaria, Gil Tae Hwang, Megan C Thielges, Christopher M Cheatum and Floyd E Romesberg
The journal of physical chemistry. B, Vol.113(23), pp.7991-7994
06/11/2009
DOI: 10.1021/jp900516c
PMID: 19441845

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Abstract

The spectral position of C−D stretching absorptions in the so-called “transparent window” of protein absorption (1800−2300 cm−1) makes them well suited as probes of protein dynamics with high temporal and structural resolution. We have previously incorporated single deuterated amino acids into proteins to site-selectively follow protein folding and ligand binding by steady-state FT IR spectroscopy. Ultimately, our goal is to use C−D bonds as probes in time-resolved IR spectroscopy to study dynamics and intramolecular vibrational energy redistribution (IVR) in proteins. As a step toward this goal, we now present the first time-resolved experiments characterizing the population and dephasing dynamics of selectively excited C−D bonds in a deuterated amino acid. Three differently deuterated, Boc-protected leucines were selected to systematically alter the number of additional C−D bonds that may mediate IVR out of the initially populated bright C−D stretching mode. Three-pulse photon echo experiments show that the steady-state C−D absorption linewidths are broadened by both homogeneous and inhomogeneous effects, and transient grating experiments reveal that IVR occurs on a subpicosecond time scale and is nonstatistical. The results have important implications for the interpretation of steady-state C−D spectra and demonstrate the potential utility of C−D bonds as probes of dynamics and IVR within a protein.

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