Fig. 3. IACS-2858 interacts with residues at the entrance of the ubiquinone-binding site.
(A) Hydrogen bonding (blue dashed line) and π-stacking (yellow dashed line) and polar interactions (purple dashed line) made between IACS-2858 (sky blue) and residues (white) surrounding the (a) sulfonylmethyl (black box), (b) piperidine (blue box), (c) phenyl (green box), and (d) 2-pyridone (red box) moieties of IACS-2858. Insets a to d have been marginally rotated to give the clearest field of view. (B) Van der Waal’s and hydrophobic contacts made by residues within 3.5 Å of IACS-2858. Residues from ND1, NDUFS2, and NDUFS7 are labeled in black, yellow-orange, and pink, respectively. PC, phosphatidylcholine.