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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 9.

Figure 9.

Effect of 2′-F substituent on the conformation of cadC flipped into the active site of N140A-TDG82-308. (a) Alignment of structures of N140A-TDG82-308 bound to DNA containing cadC (lime) or cadCF (yellow) reveals little difference in cadC conformation. Water molecules are red spheres for cadC and magenta for cadCF; one water is seen for cadC but not cadCF, due likely to steric hindrance with 2′-F (red dotted line). Dashed lines represent hydrogen bonds with interatomic distances (Å). (b, c) Close-up view of cadC and cadCF nucleotides, flipped into the N140A-TDG82-308 active site, indicate that 2′-F has a minor effect on sugar pucker (C1′-exo, slight O4′-exo). View is along a C4′-C2′ axis with C4′ in foreground. 2Fo–FC electron density maps are contoured at 1.0σ.