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TitleStructural insights enable drug discovery for the neuronal NBCn2 carbonate transporter.
Journal, issue, pagesNat Commun, Vol. 17, Issue 1, Year 2026
Publish dateJul 22, 2026
AuthorsShifan Yang / Yihan Zhao / Sezen Vatansever / Gregory Zilberg / Michael J Capper / Jinglong Zhang / Joshua Stamos / Keino Hutchinson / Audrey L Warren / Alexander C Stone / Anwar Abbassi / Eric Purisic / Lap Ho / Aiqun Li / Jinye Dai / Avner Schlessinger / Bin Zhang / Daniel Wacker /
PubMed AbstractNBCn2 (SLC4A10), a member of the SLC4 solute carrier (SLC) family, is a sodium-dependent (bi)carbonate transporter that regulates acid extrusion in various brain regions. Mutations in NBCn2 cause ...NBCn2 (SLC4A10), a member of the SLC4 solute carrier (SLC) family, is a sodium-dependent (bi)carbonate transporter that regulates acid extrusion in various brain regions. Mutations in NBCn2 cause severe neurodevelopmental disorders in humans, and knock out studies suggest that its role in regulating neuronal excitability could hold therapeutic potential for seizure disorders such as epilepsy. Despite its physiological importance, NBCn2's molecular mechanisms remain largely unknown, and there is limited availability of tool compounds to further probe its role in health and disease. Combining cryoEM with computational docking and simulation studies, we herein elucidate NBCn2's molecular architecture and substrate binding mechanisms on the atomic scale. Via structure-based drug discovery we further identify a compound series that inhibits NBCn2-mediated transport, and characterize its inhibitory mechanisms via cryoEM. Lastly, we showcase the potential of this compound series to template useful probes by demonstrating pharmacological activity both in primary culture as well as brain slices.
External linksNat Commun / PubMed:42637710 / PubMed Central
MethodsEM (single particle)
Resolution2.45 - 3.24 Å
Structure data

48304

9mix

EMDB-48304, PDB-9mix:
Cryo-EM structure of human NBCn2
Method: EM (single particle) / Resolution: 2.85 Å

48318

9mjo

EMDB-48318, PDB-9mjo:
Cryo-EM structure of human NBCn2 bound to Carbonate
Method: EM (single particle) / Resolution: 2.45 Å

48320

9mk6

EMDB-48320, PDB-9mk6:
Cryo-EM structure of human NBCn2 bound to Compound 38J
Method: EM (single particle) / Resolution: 3.24 Å

Chemicals

ChemComp-CLR:
CHOLESTEROL

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

ChemComp-CO3:
CARBONATE ION

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER


PDB Unreleased entry

PDB-1blw: Unknown entry

Source
  • homo sapiens (human)
KeywordsMEMBRANE PROTEIN / Transmembrane / Transport Protein

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