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000885449 1001_ $$0P:(DE-Juel1)136837$$aFahlke, Christoph$$b0$$eCorresponding author
000885449 245__ $$aNa + -dependent gate dynamics and electrostatic attraction ensure substrate coupling in glutamate transporters
000885449 260__ $$aWashington, DC [u.a.]$$bAssoc.$$c2020
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000885449 520__ $$aExcitatory amino acid transporters (EAATs) harness [Na+], [K+], and [H+] gradients for fast and efficient glutamate removal from the synaptic cleft. Since each glutamate is cotransported with three Na+ ions, [Na+] gradients are the predominant driving force for glutamate uptake. We combined all-atom molecular dynamics simulations, fluorescence spectroscopy, and x-ray crystallography to study Na+:substrate coupling in the EAAT homolog GltPh. A lipidic cubic phase x-ray crystal structure of wild-type, Na+-only bound GltPh at 2.5-Å resolution revealed the fully open, outward-facing state primed for subsequent substrate binding. Simulations and kinetic experiments established that only the binding of two Na+ ions to the Na1 and Na3 sites ensures complete HP2 gate opening via a conformational selection-like mechanism and enables high-affinity substrate binding via electrostatic attraction. The combination of Na+-stabilized gate opening and electrostatic coupling of aspartate to Na+ binding provides a constant Na+:substrate transport stoichiometry over a broad range of neurotransmitter concentrations.
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000885449 536__ $$0G:(DE-Juel1)jara0180_20200501$$aMolecular dynamics simulations of P2X receptors (jara0180_20200501)$$cjara0180_20200501$$fMolecular dynamics simulations of P2X receptors$$x2
000885449 536__ $$0G:(DE-Juel1)jics42_20191101$$aMultiscale simulations of voltage-gated sodium channel complexes and clusters (jics42_20191101)$$cjics42_20191101$$fMultiscale simulations of voltage-gated sodium channel complexes and clusters$$x3
000885449 536__ $$0G:(DE-Juel1)jara0177_20191101$$aMolecular dynamics of the SLC26 family of ion channels and transporters (jara0177_20191101)$$cjara0177_20191101$$fMolecular dynamics of the SLC26 family of ion channels and transporters$$x4
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000885449 7001_ $$0P:(DE-Juel1)131949$$aBalandin, Taras$$b1
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000885449 7001_ $$0P:(DE-Juel1)165847$$aAlleva, Claudia$$b3
000885449 7001_ $$0P:(DE-Juel1)156429$$aMachtens, Jan-Philipp$$b4$$eCorresponding author
000885449 7001_ $$0P:(DE-Juel1)131964$$aGordeliy, Valentin$$b5
000885449 7001_ $$0P:(DE-Juel1)131948$$aBaeken, Christian$$b6
000885449 7001_ $$0P:(DE-Juel1)169220$$aKovalev, Kirill$$b7
000885449 7001_ $$0P:(DE-Juel1)145125$$aBerndt, Meike$$b8
000885449 773__ $$0PERI:(DE-600)2810933-8$$a10.1126/sciadv.aba9854$$gVol. 6, no. 47, p. eaba9854 -$$n47$$peaba9854 -$$tScience advances$$v6$$x2375-2548$$y2020
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