Figure 3.

Overview of structure. Ribbon representation of the MGL structure. Color-coding is according to secondary structure (α-helices: magenta, β-sheets: yellow). The ligand (Compound 1) is drawn in ball-and-stick representation (green carbons). The protein adopts a typical α/β hydrolase fold²¹ comprised of 8 β-sheets, with β2 being antiparallel to the other sheets and six canonical α-helices [α1 or αA, α2(αB), α3(αC), α6(αD), α7(αE), α8(αF)] and two additional α-helices comprising the lid sub-domain [α4(), α5()]. The inhibitor is located in the active-site, which is capped by loops connecting helices α4–α6. Inset: Structure of Compound 1.