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Figure 4.
Interactions of the bithiazole/C-terminal tail and linker
with the DNA. (A) Stereodiagram of 1 with DNA (gray) and
intercalated bithiazole/C-terminal tail (blue) and linker (red)
as a ball-and-stick model with waters (magenta) that contribute
to bithiazole/C-terminal tail positioning. Hydrogen bonds
represented as black dashed lines. Oxygen atoms in red (DNA) or
pink (BLM) and nitrogen atoms in blue (DNA) or cyan
(Co·BLM) are involved in H-bonding. Sulfur atoms are
yellow. (B) Superimposed 1 (gray) and 2 (black) 5′-GTT sites
with intercalated bithiazole/C-terminal tails (1, blue; 2,
orange) and relevant water from 1 (magenta) (rmsd of 5′-GT
base pairs = 0.54 Å).
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