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TitleCryo-EM structures of adenosine receptor AAR bound to selective agonists.
Journal, issue, pagesNat Commun, Vol. 15, Issue 1, Page 3252, Year 2024
Publish dateApr 16, 2024
AuthorsHongmin Cai / Shimeng Guo / Youwei Xu / Jun Sun / Junrui Li / Zhikan Xia / Yi Jiang / Xin Xie / H Eric Xu /
PubMed AbstractThe adenosine A receptor (AAR), a key member of the G protein-coupled receptor family, is a promising therapeutic target for inflammatory and cancerous conditions. The selective AAR agonists, CF101 ...The adenosine A receptor (AAR), a key member of the G protein-coupled receptor family, is a promising therapeutic target for inflammatory and cancerous conditions. The selective AAR agonists, CF101 and CF102, are clinically significant, yet their recognition mechanisms remained elusive. Here we report the cryogenic electron microscopy structures of the full-length human AAR bound to CF101 and CF102 with heterotrimeric G protein in complex at 3.3-3.2 Å resolution. These agonists reside in the orthosteric pocket, forming conserved interactions via their adenine moieties, while their 3-iodobenzyl groups exhibit distinct orientations. Functional assays reveal the critical role of extracellular loop 3 in AAR's ligand selectivity and receptor activation. Key mutations, including His, Ser, and Ser, in a unique sub-pocket of AAR, significantly impact receptor activation. Comparative analysis with the inactive AAR structure highlights a conserved receptor activation mechanism. Our findings provide comprehensive insights into the molecular recognition and signaling of AAR, paving the way for designing subtype-selective adenosine receptor ligands.
External linksNat Commun / PubMed:38627384 / PubMed Central
MethodsEM (single particle)
Resolution3.19 - 3.29 Å
Structure data

37985

8x16

EMDB-37985, PDB-8x16:
Cryo-EM structure of adenosine receptor A3AR bound to CF101
Method: EM (single particle) / Resolution: 3.29 Å

37986

8x17

EMDB-37986, PDB-8x17:
Cryo-EM structure of adenosine receptor A3AR bound to CF102
Method: EM (single particle) / Resolution: 3.19 Å

Chemicals

ChemComp-Q8L:
Piclidenoson


ChemComp, No image

ChemComp-XS0:
Unknown entry

Source
  • homo sapiens (human)
  • bos taurus (cattle)
  • rattus norvegicus (Norway rat)
  • mus musculus (house mouse)
KeywordsMEMBRANE PROTEIN/IMMUNE SYSTEM / GPCR / adenosine A3 receptor / ligand selectivity / CF101 / MEMBRANE PROTEIN / MEMBRANE PROTEIN-IMMUNE SYSTEM complex / CF102

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