Molecular dynamics simulations elucidate the mechanism of proton transport in the glutamate transporter EAAT3

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Molecular dynamics simulations elucidate the mechanism of proton transport in the glutamate transporter EAAT3 is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1016/J.BPJ.2014.05.010
P932PMC publication ID4070078
P698PubMed publication ID24940785

P50authorGermano HeinzelmannQ42884432
P2093author name stringSerdar Kuyucak
P2860cites workMolecular dynamics simulations of the mammalian glutamate transporter EAAT3Q27314841
Coupling substrate and ion binding to extracellular gate of a sodium-dependent aspartate transporterQ27643578
Transport mechanism of a bacterial homologue of glutamate transporters.Q27658257
Crystal structure of a substrate-free aspartate transporterQ27685469
VMD: visual molecular dynamicsQ27860554
Scalable molecular dynamics with NAMDQ27860718
Glutamate uptakeQ28190140
pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic modelQ29302657
Update of the CHARMM all-atom additive force field for lipids: validation on six lipid typesQ29616710
Protein structure modeling with MODELLERQ29617759
Structure of a glutamate transporter homologue from Pyrococcus horikoshiiQ30032687
The position of an arginine residue influences substrate affinity and K+ coupling in the human glutamate transporter, EAAT1.Q30090226
Toward the estimation of the absolute quality of individual protein structure modelsQ30397038
A computational study of ion binding and protonation states in the KcsA potassium channel.Q31812432
Multiple consequences of mutating two conserved beta-bridge forming residues in the translocation cycle of a neuronal glutamate transporterQ79998918
Neutralization of the aspartic acid residue Asp-367, but not Asp-454, inhibits binding of Na+ to the glutamate-free form and cycling of the glutamate transporter EAAC1.Q33233908
Mechanism of cation binding to the glutamate transporter EAAC1 probed with mutation of the conserved amino acid residue Thr101.Q33885249
Evidence for a third sodium-binding site in glutamate transporters suggests an ion/substrate coupling model.Q34068453
The ionization state and the conformation of Glu-71 in the KcsA K(+) channelQ34177167
Position of the third Na+ site in the aspartate transporter GltPh and the human glutamate transporter, EAAT1.Q34200400
Two serine residues of the glutamate transporter GLT-1 are crucial for coupling the fluxes of sodium and the neurotransmitterQ35010990
Free energy simulations of ligand binding to the aspartate transporter Glt(Ph).Q35556342
Molecular determinant of ion selectivity of a (Na+ + K+)-coupled rat brain glutamate transporterQ35744207
A conserved aspartate residue located at the extracellular end of the binding pocket controls cation interactions in brain glutamate transportersQ35842139
Conserved asparagine residue located in binding pocket controls cation selectivity and substrate interactions in neuronal glutamate transporterQ36006874
Cooperation of the conserved aspartate 439 and bound amino acid substrate is important for high-affinity Na+ binding to the glutamate transporter EAAC1Q36295999
Aspartate-444 is essential for productive substrate interactions in a neuronal glutamate transporterQ36296014
Protonation state of a conserved acidic amino acid involved in Na(+) binding to the glutamate transporter EAAC1Q36479703
Two conformational changes are associated with glutamate translocation by the glutamate transporter EAAC1.Q36724882
The conserved histidine 295 does not contribute to proton cotransport by the glutamate transporter EAAC1.Q36724927
Thallium ions can replace both sodium and potassium ions in the glutamate transporter excitatory amino acid carrier 1Q37118714
The equivalent of a thallium binding residue from an archeal homolog controls cation interactions in brain glutamate transportersQ37321027
Changing hydration level in an internal cavity modulates the proton affinity of a key glutamate in cytochrome c oxidaseQ37340736
Distance-scaled, finite ideal-gas reference state improves structure-derived potentials of mean force for structure selection and stability predictionQ38270534
Free energy via molecular simulation: applications to chemical and biomolecular systemsQ38648060
Comparison of coupled and uncoupled currents during glutamate uptake by GLT-1 transporters.Q40687672
On the mechanism of proton transport by the neuronal excitatory amino acid carrier 1.Q41899521
Na(+):aspartate coupling stoichiometry in the glutamate transporter homologue Glt(Ph).Q43115899
Molecular determinants for functional differences between alanine-serine-cysteine transporter 1 and other glutamate transporter family members.Q43219312
Coupled, but not uncoupled, fluxes in a neuronal glutamate transporter can be activated by lithium ionsQ43691960
The determinants of pKas in proteinsQ43795561
Is the glutamate residue Glu-373 the proton acceptor of the excitatory amino acid carrier 1?Q44207688
Mechanism and energetics of ligand release in the aspartate transporter GltPhQ44619761
Arginine 445 Controls the Coupling between Glutamate and Cations in the Neuronal Transporter EAAC-1Q44640396
Investigating the mechanism of substrate uptake and release in the glutamate transporter homologue Glt(Ph) through metadynamics simulationsQ46083612
The role of cation binding in determining substrate selectivity of glutamate transportersQ46202485
Voltage-independent sodium-binding events reported by the 4B-4C loop in the human glutamate transporter excitatory amino acid transporter 3.Q48788762
Constitutive ion fluxes and substrate binding domains of human glutamate transporters.Q49046101
Computation of standard binding free energies of polar and charged ligands to the glutamate receptor GluA2.Q51117868
Mutation of an amino acid residue influencing potassium coupling in the glutamate transporter GLT-1 induces obligate exchangeQ71985002
Intrinsic Dissociation Constants of Aspartyl and Glutamyl Carboxyl GroupsQ72317364
A model for the topology of excitatory amino acid transporters determined by the extracellular accessibility of substituted cysteinesQ73697352
Arginine 447 plays a pivotal role in substrate interactions in a neuronal glutamate transporterQ74291078
P433issue12
P407language of work or nameEnglishQ1860
P1104number of pages9
P304page(s)2675-2683
P577publication date2014-06-01
P1433published inBiophysical JournalQ2032955
P1476titleMolecular dynamics simulations elucidate the mechanism of proton transport in the glutamate transporter EAAT3
P478volume106

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cites work (P2860)
Q36409591Computational Studies of Glutamate Transporters
Q35768037Computational characterization of structural dynamics underlying function in active membrane transporters
Q41151104Coupling between neurotransmitter translocation and protonation state of a titratable residue during Na ⁺-coupled transport
Q55128087Shared dynamics of LeuT superfamily members and allosteric differentiation by structural irregularities and multimerization.
Q33803749Substrate transport and anion permeation proceed through distinct pathways in glutamate transporters.

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