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Figure 3
Cryo-EM structure of A2AR-β-lactamaseBli (Fusion 5) bound to BLIPII and antagonist ligand ZM241385. (a) Overall structural model: A2AR-β-lactamaseBli is in pink, BLIPII is in teal and ZM241385 is in orange. (b) Overlay of the cryo-EM experimental structure (pink and teal) with the AlphaFold2-predicted structure (grey), aligned on A2AR. Overlay of the full model (not shown) has an r.m.s.d. of 2.09 Å. (c) Ligand-binding site of the cryo-EM structure with the density map in blue, showing the binding pose of ZM241385 (orange). The map is displayed at 14σ. (d) Comparison of the ligand-binding site between the cryo-EM structure (pink and orange) and X-ray crystallographic structure of ZM241385-bound A2AR (PDB entry 5iu4, yellow).

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
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