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. Author manuscript; available in PMC: 2021 Jan 27.
Published in final edited form as: Nat Metab. 2020 Jul 27;2(9):873–881. doi: 10.1038/s42255-020-0245-2

Extended Data Fig. 5. Unique palmitoyl-CoA conformation clusters consistent with our experimental data.

Extended Data Fig. 5

Docking into the (a) 4CFF, (b) 5ISO and (c) 6B1U active AMPKα2β1γ1 structures (grey cartoon). Palmitoyl-CoA shown as sticks, with the carbon atoms coloured either yellow or green. (d) Overlay of all docked palmitoyl-CoA poses except for those in Clusters 2, 4 and 5 for the 5ISO AMPK structure. The overlay shows that the different conformational clusters for the 4CFF, 5ISO and 6B1U AMPK structures fall under a general binding mode. Carbon, sulphur, nitrogen, oxygen and phosphorous atoms are coloured grey, yellow, blue, red and orange respectively.