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https://hdl.handle.net/20.500.11851/6747
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DC Field | Value | Language |
---|---|---|
dc.contributor.author | Heinzelmann, Germano | - |
dc.contributor.author | Baştuğ, Turgut | - |
dc.contributor.author | Kuyucak, Serdar | - |
dc.date.accessioned | 2021-09-11T15:43:24Z | - |
dc.date.available | 2021-09-11T15:43:24Z | - |
dc.date.issued | 2011 | en_US |
dc.identifier.citation | Heinzelmann, G., Baştuğ, T., & Kuyucak, S. (2011). Free energy simulations of ligand binding to the aspartate transporter GltPh. Biophysical Journal, 101(10), 2380-2388. | en_US |
dc.identifier.issn | 0006-3495 | - |
dc.identifier.issn | 1542-0086 | - |
dc.identifier.uri | https://doi.org/10.1016/j.bpj.2011.10.010 | - |
dc.identifier.uri | https://hdl.handle.net/20.500.11851/6747 | - |
dc.description.abstract | Glutamate/Aspartate transporters cotransport three Na+ and one H+ ions with the substrate and countertransport one K ion. The binding sites for the substrate and two Na+ ions have been observed in the crystal structure of the archeal homolog Glt(Ph), while the binding site for the third Na+ ion has been proposed from computational studies and confirmed by experiments. Here we perform detailed free energy simulations of Glt(Ph), giving a comprehensive characterization of the substrate and ion binding sites, and calculating their binding free energies in various configurations. Our results show unequivocally that the substrate binds after the binding of two Na+ ions. They also shed light into Asp/Glu selectivity of Glt(Ph), which is not observed in eukaryotic glutamate transporters. | en_US |
dc.description.sponsorship | Australian Research CouncilAustralian Research Council; Turkish Scientific and Technical Research CouncilTurkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK) | en_US |
dc.description.sponsorship | This work was supported by grants from the Australian Research Council and Turkish Scientific and Technical Research Council. | en_US |
dc.language.iso | en | en_US |
dc.publisher | Cell Press | en_US |
dc.relation.ispartof | Biophysical Journal | en_US |
dc.rights | info:eu-repo/semantics/openAccess | en_US |
dc.subject | [No Keywords] | en_US |
dc.title | Free Energy Simulations of Ligand Binding To the Aspartate Transporter Glt(ph) | en_US |
dc.type | Article | en_US |
dc.department | Faculties, Faculty of Engineering, Department of Material Science and Nanotechnology Engineering | en_US |
dc.department | Fakülteler, Mühendislik Fakültesi, Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü | tr_TR |
dc.identifier.volume | 101 | en_US |
dc.identifier.issue | 10 | en_US |
dc.identifier.startpage | 2380 | en_US |
dc.identifier.endpage | 2388 | en_US |
dc.authorid | 0000-0001-7168-6941 | - |
dc.authorid | 0000-0001-9123-9292 | - |
dc.authorid | 0000-0003-4315-9532 | - |
dc.identifier.wos | WOS:000297143500013 | en_US |
dc.identifier.scopus | 2-s2.0-81255200359 | en_US |
dc.institutionauthor | Baştuğ, Turgut | - |
dc.identifier.pmid | 22098736 | en_US |
dc.identifier.doi | 10.1016/j.bpj.2011.10.010 | - |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
dc.identifier.scopusquality | Q1 | - |
item.openairetype | Article | - |
item.languageiso639-1 | en | - |
item.grantfulltext | open | - |
item.fulltext | With Fulltext | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.cerifentitytype | Publications | - |
crisitem.author.dept | 02.6. Department of Material Science and Nanotechnology Engineering | - |
Appears in Collections: | Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü / Department of Material Science & Nanotechnology Engineering PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection |
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