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. Author manuscript; available in PMC: 2012 Oct 19.
Published in final edited form as: Biochemistry. 2011 Jul 25;50(32):7023–7032. doi: 10.1021/bi200790s

Figure 3.

Figure 3

Left: Overlap of the DNA and dNTP structures from a representative snapshot of MD simulation of pol β containing dG•dATP pair (magenta) with the crystal structures of the DNA in ternary pol β complexes containing the dG•dCTP (yellow) and dG•dATP base pairs (cyan). Right: Overlap of the average calculated structures of the dG•dCTP (grey) and dG•dATP (atom-type colors) base pairs in the GSA pol β - DNA-dNTP complex. Hydrogen bonding interactions in the dG•dATP mispair are shown with dashed lines.