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. Author manuscript; available in PMC: 2020 Nov 27.
Published in final edited form as: J Am Chem Soc. 2019 Nov 18;141(47):18851–18861. doi: 10.1021/jacs.9b10376

Figure 8.

Figure 8.

Effects of removing the N140 carboxamide. Structure of N140A-TDG82-308 (wheat) bound to DNA (light green) with cadC flipped into its active site (PDB ID: 6U16). Aligned to this is the structure of TDG82-308 (white) bound to cadCF DNA (PDB ID: 6U17). Water molecules are red spheres for N140A-TDG82-308 and magenta for TDG82-308. The putative nucleophile for TDG82-308 is labeled “n”; a corresponding water displaced by 1 Å for N140A-TDG82-308 is labeled “*” and its distance from the electrophile (C1′) is 3.6 Å (thin dotted line). The second water that contacts N140 of TDG82-308 is labeled “W2”.