2018
Computation-guided analysis of paroxetine binding to hSERT reveals functionally important structural elements and dynamics
Abramyan AM, Slack RD, Meena S, Davis BA, Newman AH, Singh SK, Shi L. Computation-guided analysis of paroxetine binding to hSERT reveals functionally important structural elements and dynamics. Neuropharmacology 2018, 161: 107411. PMID: 30391505, PMCID: PMC6494725, DOI: 10.1016/j.neuropharm.2018.10.040.Peer-Reviewed Original Research
2015
Chapter Nine Biophysical Approaches to the Study of LeuT, a Prokaryotic Homolog of Neurotransmitter Sodium Symporters
Singh SK, Pal A. Chapter Nine Biophysical Approaches to the Study of LeuT, a Prokaryotic Homolog of Neurotransmitter Sodium Symporters. Methods In Enzymology 2015, 557: 167-198. PMID: 25950965, PMCID: PMC4818570, DOI: 10.1016/bs.mie.2015.01.002.Peer-Reviewed Original ResearchConceptsMultiple integral membrane proteinsSolute carrier 6 (SLC6) familyNeurotransmitter sodium symportersIntegral membrane proteinsAmino acid symporterDependent neurotransmitter transportersEukaryotic counterpartsSodium symportersProkaryotic homologAcid symporterLeuT structureMembrane proteinsNeurotransmitter transportersBiophysical approachesLeuTHomology modelingMechanism of transportSecondary transportAmino acidsLipid bilayersSignificant transportersMechanistic paradigmMolecular dynamics simulationsSymporterProtein
2007
Antidepressant binding site in a bacterial homologue of neurotransmitter transporters
Singh SK, Yamashita A, Gouaux E. Antidepressant binding site in a bacterial homologue of neurotransmitter transporters. Nature 2007, 448: 952-956. PMID: 17687333, DOI: 10.1038/nature06038.Peer-Reviewed Original Research
2005
Crystal structure of a bacterial homologue of Na+/Cl--dependent neurotransmitter transporters
Yamashita A, Singh SK, Kawate T, Jin Y, Gouaux E. Crystal structure of a bacterial homologue of Na+/Cl--dependent neurotransmitter transporters. Nature 2005, 437: 215-223. PMID: 16041361, DOI: 10.1038/nature03978.Peer-Reviewed Original ResearchMeSH KeywordsAmino Acid SequenceBacteriaBacterial ProteinsBinding SitesBiological TransportChloridesCrystallography, X-RayHydrophobic and Hydrophilic InteractionsLeucineMembrane Transport ProteinsModels, MolecularMolecular Sequence DataNeurotransmitter AgentsSequence AlignmentSodiumStructure-Activity RelationshipWaterConceptsBacterial homologueProtein coreDependent neurotransmitter transportersTransmembrane helicesTransmembrane segmentsAquifex aeolicusUptake of neurotransmittersSubstrate bindingNeurotransmitter transportersMain-chain atomsMembrane bilayerDependent transportersElectrochemical gradientIon binding siteTransportersHelix dipole