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TitleStructure-guided engineering of snake toxins for selective modulation of adrenergic and muscarinic receptors.
Journal, issue, pagesNat Commun, Vol. 16, Issue 1, Page 6478, Year 2025
Publish dateJul 14, 2025
AuthorsYixuan Zhong / Huihui Tao / Yu Zhang / Binbin He / Haizhan Jiao / Dandan Wang / Maikun Teng / Hongli Hu / Qiong Guo / Yuyong Tao /
PubMed AbstractAdrenergic receptors (ARs) and muscarinic acetylcholine receptors (mAChRs) are essential G protein-coupled receptors (GPCRs) that regulate a wide range of physiological processes. Despite their ...Adrenergic receptors (ARs) and muscarinic acetylcholine receptors (mAChRs) are essential G protein-coupled receptors (GPCRs) that regulate a wide range of physiological processes. Despite their significance, developing subtype-selective modulators for these receptors has been a formidable challenge due to the high structural and sequence similarities within their subfamilies. In this study, we elucidated the recognition and regulatory mechanisms of ARs and mAChRs by muscarinic toxin 3 (MT3), a cross-reactive ligand derived from snake venom. By leveraging the distinct toxin-receptor interfaces, we engineer a panel of toxin variants capable of selectively modulating α2A and MAChR using computational design and directed evolution. These subtype-selective toxins not only provide valuable tools for basic research but also hold therapeutic potential for diseases associated with these GPCRs. This study further underscores the effectiveness of structure-guided approaches in transforming venom-derived scaffolds into receptor-specific modulators.
External linksNat Commun / PubMed:40659608 / PubMed Central
MethodsEM (single particle)
Resolution3.3 - 3.6 Å
Structure data

60793

9iqr

EMDB-60793, PDB-9iqr:
Cryo-EM structure of MT3-alpha2AAR
Method: EM (single particle) / Resolution: 3.4 Å

60794

9iqs

EMDB-60794, PDB-9iqs:
Cryo-EM structure of MT3-Muscarinic acetylcholine receptor 4
Method: EM (single particle) / Resolution: 3.6 Å

60796

9iqv

EMDB-60796, PDB-9iqv:
Cryo-EM structure of MT3-alpha1AAR
Method: EM (single particle) / Resolution: 3.3 Å

Source
  • homo sapiens (human)
  • dendroaspis angusticeps (eastern green mamba)
  • synthetic construct (others)
KeywordsMEMBRANE PROTEIN / complex

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