Two-dimensional infrared spectroscopy of azido-nicotinamide adenine dinucleotide in water

Samrat Dutta; William Rock; Richard J Cook; Amnon Kohen; Christopher M Cheatum

doi:10.1063/1.3623418

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Two-dimensional infrared spectroscopy of azido-nicotinamide adenine dinucleotide in water

Journal article

Open access

Peer reviewed

Two-dimensional infrared spectroscopy of azido-nicotinamide adenine dinucleotide in water

Samrat Dutta, William Rock, Richard J Cook, Amnon Kohen and Christopher M Cheatum

The Journal of chemical physics, Vol.135(5), pp.055106-055106-6

08/07/2011

DOI: 10.1063/1.3623418

PMCID: PMC3162616

PMID: 21823737

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Abstract

Mid-IR active analogs of enzyme cofactors have the potential to be important spectroscopic reporters of enzyme active site dynamics. Azido-nicotinamide adenine dinucleotide (NAD(+)), which has been recently synthesized in our laboratory, is a mid-IR active analog of NAD(+), a ubiquitous redox cofactor in biology. In this study, we measure the frequency-frequency time correlation function for the antisymmetric stretching vibration of the azido group of azido-NAD(+) in water. Our results are consistent with previous studies of pseudohalides in water. We conclude that azido-NAD(+) is sensitive to local environmental fluctuations, which, in water, are dominated by hydrogen-bond dynamics of the water molecules around the probe. Our results demonstrate the potential of azido-NAD(+) as a vibrational probe and illustrate the potential of substituted NAD(+)-analogs as reporters of local structural dynamics that could be used for studies of protein dynamics in NAD-dependent enzymes.

NAD - chemistry

Spectrophotometry, Infrared - methods

Azides - chemistry

Water - chemistry

Details

Title: Subtitle: Two-dimensional infrared spectroscopy of azido-nicotinamide adenine dinucleotide in water
Creators: Samrat Dutta - Department of Chemistry, University of Iowa, Iowa City, Iowa 52242, USA
William Rock
Richard J Cook
Amnon Kohen
Christopher M Cheatum
Resource Type: Journal article
Publication Details: The Journal of chemical physics, Vol.135(5), pp.055106-055106-6
Publisher: United States
DOI: 10.1063/1.3623418
PMID: 21823737
PMCID: PMC3162616
ISSN: 0021-9606
eISSN: 1089-7690
Grant note: R01 GM079368 / NIGMS NIH HHS R01 GM65368 / NIGMS NIH HHS R01 GM065368 / NIGMS NIH HHS R01 GM79368 / NIGMS NIH HHS
Language: English
Date published: 08/07/2011
Academic Unit: Core Research Facilities; Chemistry
Record Identifier: 9983985858202771

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