Direct evidence for (G)O6···H2-N4(C)+ hydrogen bonding in transient G(syn)-C+ and G(syn)-m5C+ Hoogsteen base pairs in duplex DNA from cytosine amino nitrogen off-resonance R1ρ relaxation dispersion measurements.
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DOI: 10.1016/j.jmr.2019.106589
Abstract: NMR relaxation dispersion studies have shown that Watson-Crick G-C and A-T base pairs in duplex DNA exist in dynamic equilibrium with their Hoogsteen counterparts. Hoogsteen base pairs form through concurrent rotation of the purine base… read more here.
Keywords: relaxation dispersion; syn; base pairs; base ... See more keywords
Alchemical Free-Energy Calculations of Watson–Crick and Hoogsteen Base Pairing Interconversion in DNA
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DOI: 10.1021/acs.jctc.2c00848
Abstract: Hoogsteen (HG) base pairs have a transient nature and can be structurally similar to Watson–Crick (WC) base pairs, making their occurrence and thermodynamic stability difficult to determine experimentally. Herein, we employed the restrain–free-energy perturbation–release (R-FEP-R)… read more here.
Keywords: base pairing; free energy; watson crick; hoogsteen base ... See more keywords
Probing Watson-Crick and Hoogsteen base pairing in duplex DNA using dynamic nuclear polarization solid-state NMR spectroscopy
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DOI: 10.1073/pnas.2200681119
Abstract: Significance Hoogsteen base pairs, which are thermodynamically less stable than the canonical Watson-Crick base pairs, often feature in complexes of DNA with proteins and small molecules, where they play key roles in DNA recognition, repair,… read more here.
Keywords: watson crick; spectroscopy; hoogsteen base; base ... See more keywords