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TitleStructural basis of LY334370 recognition and selectivity at the 5-HT receptor.
Journal, issue, pagesBiochem Biophys Res Commun, Vol. 804, Page 153313, Year 2026
Publish dateMar 12, 2026
AuthorsYumeng Wang / Chunyu Wang / Can Cao /
PubMed AbstractThe 5-HT receptor is a serotonin receptor subtype highly expressed in trigeminal sensory neurons, where it modulates neuropeptide release and nociceptive signaling without inducing vasoconstriction. ...The 5-HT receptor is a serotonin receptor subtype highly expressed in trigeminal sensory neurons, where it modulates neuropeptide release and nociceptive signaling without inducing vasoconstriction. This makes it an important therapeutic target for migraine. LY334370 was developed as a first-generation selective 5-HTR agonist and demonstrated efficacy in clinical studies. However, the molecular mechanism underlying 5-HTR activation by LY334370 remains poorly understood. Here, we determined a 3.13 Å cryo-EM structure of the LY334370-bound 5-HTR-miniGα complex. Combined with functional analyses, this structure delineates the molecular determinants underlying LY334370 recognition. Comparison with BRL54443 indicates that LY334370 selectivity for 5-HTR is driven by its optimal accommodation within the receptor-specific extended binding pocket. Furthermore, comparative analysis with the lasmiditan-bound 5-HTR-Gα complex reveals distinct agonist binding modes and provides mechanistic insight into Gα subtype-specific coupling. Collectively, these findings elucidate the structural basis of 5-HTR activation, ligand selectivity, and G protein coupling, providing a structural framework for the rational design of safer and more effective anti-migraine drugs.
External linksBiochem Biophys Res Commun / PubMed:41619505
MethodsEM (single particle)
Resolution3.13 - 3.18 Å
Structure data

67446

21ag

EMDB-67446, PDB-21ag:
LY334370-bound serotonin 1F (5-HT1F) receptor-miniGoA protein complex
Method: EM (single particle) / Resolution: 3.13 Å

67447

21ah

EMDB-67447, PDB-21ah:
LY334370-bound serotonin 1F (5-HT1F) receptor
Method: EM (single particle) / Resolution: 3.18 Å

Chemicals

PDB-1e2g:
Human thymidylate kinase complexed with ADP, TDP and a magnesium-ion

Source
  • homo sapiens (human)
  • mus musculus (house mouse)
KeywordsMEMBRANE PROTEIN/IMMUNE SYSTEM / MEMBRANE PROTEIN-IMMUNE SYSTEM complex / MEMBRANE PROTEIN

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