Extended Data Fig. 5: Docking poses for a DGAT1-specific inhibitor in DGAT2. | Nature

Extended Data Fig. 5: Docking poses for a DGAT1-specific inhibitor in DGAT2.

From: Highly accurate protein structure prediction for the human proteome

Extended Data Fig. 5

a, Top binding pose from Autodock Vina for a DGAT1-specific inhibitor in DGAT2, which does not match the predicted binding pocket for a DGAT2-specific inhibitor. b, Next best binding pose, which matches the binding pocket for the DGAT2-specific inhibitor, but does not contain components that satisfy the polar side chains His163 and Thr194. c, Relative positions of both binding poses.

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