Cited time in webofscience Cited time in scopus

Structural Determinants of Water Permeation through the Sodium-Galactose Transporter vSGLT

Structural Determinants of Water Permeation through the Sodium-Galactose Transporter vSGLT
Adelman, Joshua L.Sheng, YingChoe, SeunghoAbramson, JeffWright, Ernest M.Rosenberg, John M.Grabe, Michael
DGIST Authors
Choe, Seungho
Issued Date
Article Type
AlgorithmAlgorithmsAmino Acid SequenceAnimalAnimalsBinding SiteBinding SitesChemistryGalactoseHumanHumansMetabolismMolecular DynamicsMolecular Dynamics SimulationMolecular GeneticsMolecular Sequence DataSodium-Glucose Transport ProteinsSodium Glucose Cotransporter
Sodium-glucose transporters (SGLTs) facilitate the movement of water across the cell membrane, playing a central role in cellular homeostasis. Here, we present a detailed analysis of the mechanism of water permeation through the inward-facing state of vSGLT based on nearly 10 μs of molecular dynamics simulations. These simulations reveal the transient formation of a continuous water channel through the transporter that permits water to permeate the protein. Trajectories in which spontaneous release of galactose is observed, as well as those in which galactose remains in the binding site, show that the permeation rate, although modulated by substrate occupancy, is not tightly coupled to substrate release. Using a, to our knowledge, novel channel-detection algorithm, we identify the key residues that control water flow through the transporter and show that solvent gating is regulated by side-chain motions in a small number of residues on the extracellular face. A sequence alignment reveals the presence of two insertion sites in mammalian SGLTs that flank these outer-gate residues. We hypothesize that the absence of these sites in vSGLT may account for the high water permeability values for vSGLT determined via simulation compared to the lower experimental estimates for mammalian SGLT1. © 2014 Biophysical Society.
Cell Press
Related Researcher
  • 최승호 Choe, Seungho 에너지공학과
  • Research Interests Theoretical Nuclear & Hadron Physics; Theoretical &Computational Biophysics
Files in This Item:

There are no files associated with this item.

Appears in Collections:
School of Undergraduate Studies 1. Journal Articles


  • twitter
  • facebook
  • mendeley

Items in Repository are protected by copyright, with all rights reserved, unless otherwise indicated.