Figure 6. Ligands 24 (A and B), 32 (C and D) and γ-rubromycin (E and F) bound to wild-type reverse transcriptase.

Snapshots were taken from random points in the last 15 ns of molecular dynamics simulations. As far as possible, the bonds depicted in the graphs have been highlighted with the same color in the corresponding image (the exceptions are the I180 carbonyl ••• OH hydrogen bond shown as the blue line in the B, and the hydrogen bond between K101 carbonyl and methoxy oxygen in γ-rubromycin shown as a blue line in F).