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Structure paper

TitleCryo-EM structures of ρ1 GABA receptors with antagonist and agonist drugs.
Journal, issue, pagesNat Commun, Vol. 16, Issue 1, Page 7077, Year 2025
Publish dateAug 1, 2025
AuthorsChen Fan / John Cowgill / Rebecca J Howard / Erik Lindahl /
PubMed AbstractThe family of ρ-type GABA receptors includes potential therapeutic targets in several neurological conditions, and features distinctive pharmacology compared to other subtypes. Here we report four ...The family of ρ-type GABA receptors includes potential therapeutic targets in several neurological conditions, and features distinctive pharmacology compared to other subtypes. Here we report four cryo-EM structures with previously unresolved ligands, electrophysiology recordings, and molecular dynamics simulations to characterize binding and conformational impact of the drugs THIP (a non-opioid analgesic), CGP36742 (a phosphinic acid) and GABOB (an anticonvulsant) on a human ρ1 GABA receptor. A distinctive binding pose of THIP in ρ1 versus α4β3δ GABA receptors offers a rationale for its inverse effects on these subtypes. CGP36742 binding is similar to the canonical ρ-type inhibitor TPMPA, supporting a shared mechanism of action among phosphinic acids. Binding of GABOB is similar to GABA, but produces a mixture of partially-locked and desensitized states, likely underlying weaker agonist activity. Together, these results elucidate interactions of a ρ-type GABA receptor with therapeutic drugs, offering mechanistic insights and a basis for further pharmaceutical development.
External linksNat Commun / PubMed:40750757 / PubMed Central
MethodsEM (single particle)
Resolution2.05 - 2.41 Å
Structure data

50710

9frb

EMDB-50710, PDB-9frb:
CryoEM structure of human rho1 GABAA receptor in complex with CGP36742
Method: EM (single particle) / Resolution: 2.05 Å

50712

9fre

EMDB-50712, PDB-9fre:
CryoEM structure of human rho1 GABAA receptor in complex with THIP
Method: EM (single particle) / Resolution: 2.19 Å

50713

9frf

9frg

EMDB-50713, PDB-9frf:
CryoEM structure of human rho1 GABAA receptor in complex with (R)-GABOB in the desensitized state
PDB-9frg: CryoEM structure of human rho1 GABAA receptor in complex with (S)-GABOB in the desensitized state
Method: EM (single particle) / Resolution: 2.41 Å

50714

9frh

9fri

EMDB-50714, PDB-9frh:
CryoEM structure of human rho1 GABAA receptor in complex with (R)-GABOB in the primed state
PDB-9fri: CryoEM structure of human rho1 GABAA receptor in complex with (S)-GABOB in the primed state
Method: EM (single particle) / Resolution: 2.14 Å

Chemicals

PDB-1ifa:
THREE-DIMENSIONAL CRYSTAL STRUCTURE OF RECOMBINANT MURINE INTERFERON-BETA

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-HEX:
HEXANE

ChemComp-OCT:
N-OCTANE

ChemComp-D12:
DODECANE

ChemComp-D10:
DECANE

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-EI7:
4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one

PDB-1iff:
Unknown entry

PDB-1ifh:
A DETAILED ANALYSIS OF THE FREE AND BOUND CONFORMATION OF AN ANTIBODY: X-RAY STRUCTURES OF ANTI-PEPTIDE FAB 17(SLASH)9 AND THREE DIFFERENT FAB-PEPTIDE COMPLEXES

Source
  • homo sapiens (human)
KeywordsTRANSLOCASE / Ion channel

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