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TitleStructural insights into small-molecule agonist recognition and activation of complement receptor C3aR.
Journal, issue, pagesEMBO J, Vol. 44, Issue 10, Page 2803-2826, Year 2025
Publish dateApr 7, 2025
AuthorsJinuk Kim / Saebom Ko / Chulwon Choi / Jungnam Bae / Hyeonsung Byeon / Chaok Seok / Hee-Jung Choi /
PubMed AbstractThe complement system plays crucial roles in innate immunity and inflammatory responses. The anaphylatoxin C3a mediates pro-inflammatory and chemotactic functions through the G protein-coupled ...The complement system plays crucial roles in innate immunity and inflammatory responses. The anaphylatoxin C3a mediates pro-inflammatory and chemotactic functions through the G protein-coupled receptor C3aR. While the active structure of the C3a-C3aR-G complex has been determined, the inactive conformation and activation mechanism of C3aR remain elusive. Here we report the cryo-EM structure of ligand-free, G protein-free C3aR, providing insights into its inactive conformation. In addition, we determine the structures of C3aR in complex with the synthetic small-molecule agonist JR14a in two distinct conformational states: a G protein-free intermediate, and a fully active G-bound state. The structure of the active JR14a-bound C3aR reveals that JR14a engages in highly conserved interactions with C3aR, similar to the binding of the C-terminal pentapeptide of C3a, along with JR14a-specific interactions. Structural comparison of C3aR in the apo, intermediate, and fully active states provides novel insights into the conformational landscape and activation mechanism of C3aR and defines a molecular basis explaining its high basal activity. Our results may aid in the rational design of therapeutics targeting complement-related inflammatory disorders.
External linksEMBO J / PubMed:40195498 / PubMed Central
MethodsEM (single particle)
Resolution2.42 - 3.56 Å
Structure data

60782

9ipv

EMDB-60782, PDB-9ipv:
Structure of JR14a-C3aR-Gi-scFv16 complex
Method: EM (single particle) / Resolution: 2.53 Å

EMDB-60783: Focused refinement map of Galpha(i) in JR14A-C3aR-Gi-scFv16 complex
Method: EM (single particle) / Resolution: 2.42 Å

EMDB-60784: Focused refinement map of C3aR in JR14A-C3aR-Gi-scFv16 complex
Method: EM (single particle) / Resolution: 2.8 Å

60785

9ipy

EMDB-60785, PDB-9ipy:
Structure of JR14a-bound human C3aR
Method: EM (single particle) / Resolution: 3.5 Å

60836

9isi

EMDB-60836, PDB-9isi:
Structure of human C3aR in apo state
Method: EM (single particle) / Resolution: 3.56 Å

Chemicals

PDB-1d9a:
SOLUTION STRUCTURE OF THE SECOND RNA-BINDING DOMAIN (RBD2) OF HU ANTIGEN C (HUC)

Source
  • homo sapiens (human)
  • escherichia coli (E. coli)
KeywordsMEMBRANE PROTEIN / GPCR

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