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. Author manuscript; available in PMC: 2016 Mar 23.
Published in final edited form as: ACS Chem Neurosci. 2015 May 29;6(8):1400–1410. doi: 10.1021/acschemneuro.5b00090

Figure 6.

Figure 6

Illustration of modeled AM3677 binding pose in hCB1R*. AM3677 (cyan) is covalently linked to hCB1R* C6.47(355) (cyan). The amide oxygen of AM3677 is hydrogen-bonded to the amino group of K3.28(192) (magenta). With the AM3677 amide oxygen positioned beneath K3.28(192), the headgroup orientation allows AM3677 to assume a more compact, J-shaped conformation within the binding pocket, allowing F3.25(189) (orange) to establish an aromatic interaction with the C5–C6 double bond (orange) in the AM3677 acyl chain. Transparent molecular surfaces of AM3677/C6.47 (cyan) and F3.25 (orange) reveal these interactions. Notably, the saturated tail of AM3677 is disposed between the toggle-switch residues F3.36(200) and W6.48(356). (A) Depiction from a lipid viewpoint through TMHs 4 and 5. (B) Rotated 180° and depicted from a lipid viewpoint through TMH1. (For clarity, TMHs 1, 4, and 5 are not shown.)