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. Author manuscript; available in PMC: 2021 Jan 26.
Published in final edited form as: J Am Chem Soc. 2020 Jun 16;142(25):11165–11172. doi: 10.1021/jacs.0c03591

Figure 4.

Figure 4.

Overall structure of Z1 binding site in the Z1-TTT complex. (a) Intercalation of Z1 through minor groove forms hydrogen bonding interactions with the T10 and G5 bases shown by black dotted lines. (b) The acridine moiety forms stacking interactions with the G11 base and the triaminoazine stacks on the G8 base. (c) 2Fo-Fc map for the three water mediated interactions between Z1 and DNA bases. The water molecules are shown by red spheres and the hydrogen bonding is shown as dotted black lines. (d) Hydrophobic interactions between Z1 and DNA bases as shown by the LIGPLOT+.