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Deuterium isotope effects and fractionation factors of hydrogen-bonded A:T base pairs of DNA

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Abstract

Deuterium isotope effects and fractionation factors of N1...H3–N3 hydrogen bonded Watson–Crick A:T base pairs of two DNA dodecamers are presented here. Specifically, two-bond deuterium isotope effects on the chemical shifts of 13C2 and 13C4, 2Δ13C2 and 2Δ13C4, and equilibrium deuterium/protium fractionation factors of H3, Φ, were measured and seen to correlate with the chemical shift of the corresponding imino proton, δH3. Downfield-shifted imino protons associated with larger values of 2Δ13C2 and 2Δ13C4 and smaller Φ values, which together suggested that the effective H3–N3 vibrational potentials were more anharmonic in the stronger hydrogen bonds of these DNA molecules. We anticipate that 2Δ13C2, 2Δ13C4 and Φ values can be useful gauges of hydrogen bond strength of A:T base pairs.

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Authors and Affiliations

  1. Departments of Biochemistry & Biophysics, Texas A&M University, College Station, TX, 77843, U.S.A

    Ioannis Vakonakis, Mijeong Kang, Kim R. Dunbar & Andy C. LiWang

  2. University of Texas, College of Pharmacy, Austin, TX, 78712, U.S.A

    Miguel Salazar

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  1. Ioannis Vakonakis
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  2. Miguel Salazar
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  3. Mijeong Kang
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  4. Kim R. Dunbar
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  5. Andy C. LiWang
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Correspondence to Andy C. LiWang.

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Vakonakis, I., Salazar, M., Kang, M. et al. Deuterium isotope effects and fractionation factors of hydrogen-bonded A:T base pairs of DNA. J Biomol NMR 25, 105–112 (2003). https://doi.org/10.1023/A:1022211927051

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