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TitleStructural dynamics of kappa opioid receptor interactions with β-arrestin 1.
Journal, issue, pagesNat Commun, Year 2026
Publish dateJun 4, 2026
AuthorsJianming Han / Eve J Fine / Qianru Jiang / Yuxuan Zhuang / Carl-Mikael Suomivuori / Zi-Wei Chen / Elizabeth Denn / Kyle Whiddon / Kunpeng Li / Alex S Evers / James Fuller / Joshua Carter / Jonathan F Fay / Muyuan Chen / Ron O Dror / Tao Che /
PubMed AbstractOpioid receptors signal through Gi/o protein and β-arrestin pathways that mediate distinct effects of opiate drugs. While opioid binding and G protein activation are well studied, β-arrestin ...Opioid receptors signal through Gi/o protein and β-arrestin pathways that mediate distinct effects of opiate drugs. While opioid binding and G protein activation are well studied, β-arrestin recruitment remains poorly understood. Here, we determine the complex structure of the kappa opioid receptor (KOR) with β-arrestin1 (βarr1) at 2.60 Å resolution using cryogenic electron microscopy. Structural and mass spectrometry analyses reveal multiple phosphorylation sites and a phospholipid-binding site that specifically enhances arrestin recruitment. The KOR-βarr1 complex adopts a core interaction and exhibits notable differences from other GPCR-βarr1 complexes. Comparisons with the structures of KOR-Nb39 and KOR-Gi1 complexes also reveal distinct structural features in the orthosteric binding site and the KOR-transducer interface that affect signaling bias. Using extensive 3D variation analysis and molecular dynamics simulations, we identify a range of conformational dynamics in both the receptor and βarr1, suggesting an allosteric pathway for arrestin's entry and exit.
External linksNat Commun / PubMed:42243110
MethodsEM (single particle)
Resolution2.6 Å
Structure data

75011

9zzo

EMDB-75011, PDB-9zzo:
MP1104-bound Kappa Opioid Receptor in complex with beta-arrestin1
Method: EM (single particle) / Resolution: 2.6 Å

Chemicals

ChemComp-PIO:
[(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate

ChemComp-CVV:
N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide

Source
  • homo sapiens (human)
  • lama glama (llama)
  • synthetic construct (others)
KeywordsSIGNALING PROTEIN/IMMUNE SYSTEM / GPCR / KAPPA OPIOID Receptor / SIGNALING PROTEIN-IMMUNE SYSTEM complex

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