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Trans-hydrogen bond deuterium isotope effects of A:T base pairs in DNA

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Abstract

The chemical shifts of 13C2 of adenosine residues of DNA were observed to experience a through-space or trans-hydrogen bond isotope effect as a result of deuterium substitution at the imino hydrogen site of base-paired thymidine residues. NMR measurements of several self-complementary DNA duplexes at natural abundance 13C in 50% H2O, 50% D2O solvent mixtures yielded an average trans-hydrogen bond isotope effect, 2hΔ13C2, of −47 ppb. The data suggest that stronger hydrogen bonds have more negative 2hΔ13C2 values, which means that A:T N1⋅⋅⋅H3 hydrogen bonds increase the anharmonicity of the effective vibrational potential of H3. However, 2hΔ13C2 values do not correlate with intra-residue 2Δ13C4 values of thymidine observed here and earlier (Vakonakis et al., 2003), which suggests that 2hΔ13C2 is not determined entirely by hydrogen bond strength. Instead, the variations observed in 2hΔ13C2 values suggest that they may also be sensitive to base pair geometry.

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  1. Department of Biochemistry & Biophysics, Texas A&M University, College Station, TX, 77843-2128, U.S.A.

    Ioannis Vakonakis & Andy C. LiWang

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  1. Ioannis Vakonakis
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Vakonakis, I., LiWang, A.C. Trans-hydrogen bond deuterium isotope effects of A:T base pairs in DNA. J Biomol NMR 29, 65–72 (2004). https://doi.org/10.1023/B:JNMR.0000019507.95667.3e

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