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TitleStructural insights into antagonist recognition by the vasopressin V2 receptor.
Journal, issue, pagesNat Commun, Vol. 16, Issue 1, Page 9734, Year 2025
Publish dateNov 4, 2025
AuthorsTianwei Zhang / Hongli Liu / Chongzhao You / Yixiao Zhang / Youwei Xu / Benxun Pan / Canrong Wu / Sanshan Jin / Yu-Ling Yin / Kai Wu / Yue Chen / Hong Sun / Yuan Si / Yangxia Tan / Wanchao Yin / H Eric Xu / Dong Guo / Yi Jiang /
PubMed AbstractThe vasopressin V2 receptor (V2R), a class A G protein-coupled receptor, is essential for regulating body water homeostasis. V2R antagonists have emerged as promising treatments for hyponatremia; ...The vasopressin V2 receptor (V2R), a class A G protein-coupled receptor, is essential for regulating body water homeostasis. V2R antagonists have emerged as promising treatments for hyponatremia; however, the absence of structural information for antagonist-bound V2R hampers our understanding of antagonist recognition and the targeted design of V2R antagonists. In this study, we present two cryo-electron microscopy structures of inactive V2R bound to the clinically approved antagonists tolvaptan and conivaptan. Combined with functional analyses and molecular dynamic simulations, these structures reveal distinct binding poses: tolvaptan is deeply inserted within the binding pocket, whereas conivaptan is positioned at a shallower depth. Integrated analyses further define critical pharmacophoric features governing antagonist activity and unveil a TM7 helical conformation-dependent antagonism mechanism that is distinct from classical GPCR inactivation modes. Our findings deepen understanding of antagonist recognition and antagonism of V2R, providing a foundation for the development of V2R-targeted therapies.
External linksNat Commun / PubMed:41188237 / PubMed Central
MethodsEM (single particle)
Resolution2.94 - 3.08 Å
Structure data

63948

9u80

EMDB-63948, PDB-9u80:
Cryo-EM structure of conivaptan-bound human vasopressin V2 receptor complex with Fab
Method: EM (single particle) / Resolution: 2.94 Å

63949

9u81

EMDB-63949, PDB-9u81:
Cryo-EM structure of tolvaptan-bound human vasopressin V2 receptor complex with Fab
Method: EM (single particle) / Resolution: 3.08 Å

Chemicals

PDB-1ece:
ACIDOTHERMUS CELLULOLYTICUS ENDOCELLULASE E1 CATALYTIC DOMAIN IN COMPLEX WITH A CELLOTETRAOSE

PDB-1ecf:
ESCHERICHIA COLI GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE (PRPP) AMIDOTRANSFERASE

Source
  • homo sapiens (human)
  • escherichia coli (E. coli)
KeywordsMEMBRANE PROTEIN/IMMUNE SYSTEM / GPCR / vasopressin V2 receptor / antagonist / conivaptan / MEMBRANE PROTEIN-IMMUNE SYSTEM complex / tolvaptan

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