Figure 7.

Examples of other hydrogen-bond interactions that stabilize the ligand in the binding pocket. All snapshots are taken from different pockets of the 3LSY FT0-NAD-bound simulation. (A) Hydrogen bond between the phenolic ligand hydroxyl group and the carbonyl oxygen atom of the NAD amide, (B) hydrogen bond between the phenolic ligand hydroxyl group and the amine of the NAD amide, and (C) hydrogen bond between the phenolic ligand hydroxyl group and a NAD phosphate oxygen atom. [Color figure can be viewed in the online issue, which is available at wileyonlinelibrary.com.]