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Structure paper

TitleSterols in an intramolecular channel of Smoothened mediate Hedgehog signaling.
Journal, issue, pagesNat Chem Biol, Vol. 16, Issue 12, Page 1368-1375, Year 2020
Publish dateSep 14, 2020
AuthorsXiaofeng Qi / Lucas Friedberg / Ryan De Bose-Boyd / Tao Long / Xiaochun Li /
PubMed AbstractSmoothened (SMO), a class Frizzled G protein-coupled receptor (class F GPCR), transduces the Hedgehog signal across the cell membrane. Sterols can bind to its extracellular cysteine-rich domain ...Smoothened (SMO), a class Frizzled G protein-coupled receptor (class F GPCR), transduces the Hedgehog signal across the cell membrane. Sterols can bind to its extracellular cysteine-rich domain (CRD) and to several sites in the seven transmembrane helices (7-TMs) of SMO. However, the mechanism by which sterols regulate SMO via multiple sites is unknown. Here we determined the structures of SMO-G complexes bound to the synthetic SMO agonist (SAG) and to 24(S),25-epoxycholesterol (24(S),25-EC). A novel sterol-binding site in the extracellular extension of TM6 was revealed to connect other sites in 7-TMs and CRD, forming an intramolecular sterol channel from the middle side of 7-TMs to CRD. Additional structures of two gain-of-function variants, SMO and SMO, showed that blocking the channel at its midpoints allows sterols to occupy the binding sites in 7-TMs, thereby activating SMO. These data indicate that sterol transport through the core of SMO is a major regulator of SMO-mediated signaling.
External linksNat Chem Biol / PubMed:32929279 / PubMed Central
MethodsEM (single particle)
Resolution3.14 - 3.96 Å
Structure data

22117

6xbj

EMDB-22117, PDB-6xbj:
Structure of human SMO-D384R complex with Gi
Method: EM (single particle) / Resolution: 3.88 Å

22118

6xbk

EMDB-22118, PDB-6xbk:
Structure of human SMO-G111C/I496C complex with Gi
Method: EM (single particle) / Resolution: 3.24 Å

22119

6xbl

EMDB-22119, PDB-6xbl:
Structure of human SMO-Gi complex with SAG
Method: EM (single particle) / Resolution: 3.96 Å

22120

6xbm

EMDB-22120, PDB-6xbm:
Structure of human SMO-Gi complex with 24(S),25-EC
Method: EM (single particle) / Resolution: 3.14 Å

Chemicals

ChemComp-CLR:
CHOLESTEROL

ChemComp-V0S:
3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-{[3-(pyridin-4-yl)phenyl]methyl}-1-benzothiophene-2-carboxamide / agonist*YM

ChemComp-CO1:
17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYC

Source
  • homo sapiens (human)
  • mus musculus (house mouse)
KeywordsMEMBRANE PROTEIN / GPCR

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