Extended Data Fig. 2: Characterization of A•G dynamics in the hpGAT hairpin.
From: Dynamic basis for dA•dGTP and dA•d8OGTP misincorporation via Hoogsteen base pairs
(A) Secondary structure of hpGAT and chemical shift assignments of the C1ʹ-H1ʹ, C2-H2, C6-H6, and C8-H8 regions of 2D [13C, 1H] HSQC spectra for hpGAT. (B) Three-state dynamic equilibrium of A•G in the hpGAT is like hpGAC. Asterix denotes population and exchange degeneracy in the slow exchange to Aanti+•Gsyn. (C) Off-resonance R1ρ profiles for A-C2, A-C1ʹ, and A-C8. Spin-lock powers used for R1ρ profiles are color-coded in panel (C). Solid lines in panel (C) denote the global 2-state fits to the data using B-M equations as described in Methods. Data for the R1ρ profiles in panel (C) were presented as values ± 1 s.d. from Monte Carlo simulations for one measurement as described in Methods. (D) Comparison of the RD-derived Δω between hpGAT (dark orange) and hpGAC (gold). The Δω data corresponding to the panel (D) is presented as mean values ± 1 s.d. from Monte Carlo simulations (number of iterations = 500) for one R1ρ measurement as described in Methods.
