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TitleStructural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Journal, issue, pagesNat Commun, Vol. 14, Issue 1, Page 3271, Year 2023
Publish dateJun 6, 2023
AuthorsHeng Liu / Qing Zhang / Xinheng He / Mengting Jiang / Siwei Wang / Xiaoci Yan / Xi Cheng / Yang Liu / Fa-Jun Nan / H Eric Xu / Xin Xie / Wanchao Yin /
PubMed AbstractGPR84 is an orphan class A G protein-coupled receptor (GPCR) that is predominantly expressed in immune cells and plays important roles in inflammation, fibrosis, and metabolism. Here, we present cryo- ...GPR84 is an orphan class A G protein-coupled receptor (GPCR) that is predominantly expressed in immune cells and plays important roles in inflammation, fibrosis, and metabolism. Here, we present cryo-electron microscopy (cryo-EM) structures of Gα protein-coupled human GPR84 bound to a synthetic lipid-mimetic ligand, LY237, or a putative endogenous ligand, a medium-chain fatty acid (MCFA) 3-hydroxy lauric acid (3-OH-C12). Analysis of these two ligand-bound structures reveals a unique hydrophobic nonane tail -contacting patch, which forms a blocking wall to select MCFA-like agonists with the correct length. We also identify the structural features in GPR84 that coordinate the polar ends of LY237 and 3-OH-C12, including the interactions with the positively charged side chain of R172 and the downward movement of the extracellular loop 2 (ECL2). Together with molecular dynamics simulations and functional data, our structures reveal that ECL2 not only contributes to direct ligand binding, but also plays a pivotal role in ligand entry from the extracellular milieu. These insights into the structure and function of GPR84 could improve our understanding of ligand recognition, receptor activation, and Gα-coupling of GPR84. Our structures could also facilitate rational drug discovery against inflammation and metabolic disorders targeting GPR84.
External linksNat Commun / PubMed:37277332 / PubMed Central
MethodsEM (single particle)
Resolution2.89 - 3.24 Å
Structure data

35913

8j18

EMDB-35913, PDB-8j18:
Cryo-EM structure of the 3-OH-C12-bound GPR84 receptor-Gi complex
Method: EM (single particle) / Resolution: 2.89 Å

35914

8j19

EMDB-35914, PDB-8j19:
Cryo-EM structure of the LY237-bound GPR84 receptor-Gi complex
Method: EM (single particle) / Resolution: 3.23 Å

35915

8j1a

EMDB-35915, PDB-8j1a:
Cryo-EM structure of the GPR84 receptor-Gi complex with no ligand modeled
Method: EM (single particle) / Resolution: 3.24 Å

Chemicals

ChemComp-HXD:
(3R)-3-HYDROXYDODECANOIC ACID

ChemComp-SWO:
6-nonylpyridine-2,4-diol

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsIMMUNE SYSTEM / GPCR

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