Two-dimensional infrared spectroscopy of azido-nicotinamide adenine dinucleotide in water
Two-dimensional infrared spectroscopy of azido-nicotinamide adenine dinucleotide in water
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DOI：
10.1063/1.3623418
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发表时间：
2011-08-07
影响因子：
4.4
通讯作者：
Cheatum, Christopher M.
中科院分区：
文献类型：
--
作者：
Dutta, Samrat;Rock, William;Cheatum, Christopher M.
酶辅因子的中红外活性类似物有可能成为酶活性位点动力学的重要光谱报告者。叠氮烟酰胺腺嘌呤二核苷酸（NAD（+））是本实验室新近合成的一种具有中红外活性的生物氧化还原辅因子NAD（+）类似物。在这项研究中，我们测量了叠氮NAD（+）的叠氮基在水中的反对称伸缩振动的频率-频率时间相关函数。我们的研究结果与以前的研究在水中的拟卤化物是一致的。我们得出结论，叠氮基NAD（+）是敏感的局部环境波动，其中，在水中，主要是由周围的水分子的氢键动力学探针。我们的研究结果表明叠氮基-NAD（+）作为振动探针的潜力，并说明取代的NAD（+）-类似物作为局部结构动力学的报告者，可用于NAD依赖性酶的蛋白质动力学研究的潜力。(C)2011年美国物理学会。[doi：10.1063/1.3623418]
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. (C) 2011 American Institute of Physics. [doi:10.1063/1.3623418]