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Structure paper

TitleCalcium-gated potassium channel blockade via membrane-facing fenestrations.
Journal, issue, pagesNat Chem Biol, Vol. 20, Issue 1, Page 52-61, Year 2024
Publish dateAug 31, 2023
AuthorsChen Fan / Emelie Flood / Nattakan Sukomon / Shubhangi Agarwal / Toby W Allen / Crina M Nimigean /
PubMed AbstractQuaternary ammonium blockers were previously shown to bind in the pore to block both open and closed conformations of large-conductance calcium-activated potassium (BK and MthK) channels. Because ...Quaternary ammonium blockers were previously shown to bind in the pore to block both open and closed conformations of large-conductance calcium-activated potassium (BK and MthK) channels. Because blocker entry was assumed through the intracellular entryway (bundle crossing), closed-pore access suggested that the gate was not at the bundle crossing. Structures of closed MthK, a Methanobacterium thermoautotrophicum homolog of BK channels, revealed a tightly constricted intracellular gate, leading us to investigate the membrane-facing fenestrations as alternative pathways for blocker access directly from the membrane. Atomistic free energy simulations showed that intracellular blockers indeed access the pore through the fenestrations, and a mutant channel with narrower fenestrations displayed no closed-state TPeA block at concentrations that blocked the wild-type channel. Apo BK channels display similar fenestrations, suggesting that blockers may use them as access paths into closed channels. Thus, membrane fenestrations represent a non-canonical pathway for selective targeting of specific channel conformations, opening novel ways to selectively drug BK channels.
External linksNat Chem Biol / PubMed:37653172 / PubMed Central
MethodsEM (single particle)
Resolution2.88 - 3.5 Å
Structure data

27459

8djb

EMDB-27459, PDB-8djb:
MthK-A90L mutant in closed state with 0 Ca2+
Method: EM (single particle) / Resolution: 3.18 Å

29605

8fz7

EMDB-29605, PDB-8fz7:
TpeA bound closed MthK-A88F mutant in nanodisc
Method: EM (single particle) / Resolution: 2.88 Å

9405

5bki

EMDB-9405, PDB-5bki:
Blocker-free closed MthK channel in nanodisc
Method: EM (single particle) / Resolution: 3.1 Å

9406

5bkj

EMDB-9406, PDB-5bkj:
TPeA-bound closed MthK channel in nanodisc
Method: EM (single particle) / Resolution: 3.5 Å

9407

5bkk

EMDB-9407, PDB-5bkk:
bbTBA-bound closed MthK channel in nanodisc
Method: EM (single particle) / Resolution: 3.5 Å

Chemicals

ChemComp-CD:
Unknown entry

ChemComp-PGW:
(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl / phospholipid*YM

ChemComp-K:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-YQ1:
1-(tripentyl-$l^{4}-azanyl)pentane

ChemComp-YQ4:
(~{R})-phenyl-[4-[(tributyl-$l^{4}-azanyl)methyl]phenyl]methanol

Source
  • methanothermobacter thermautotrophicus (archaea)
KeywordsTRANSPORT PROTEIN / ion channel / MTHK / MEMBRANE PROTEIN / Blocker TpeA

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