ArticleBiochimica et biophysica acta2013
Glycerol modulates water permeation through Escherichia coli aquaglyceroporin GlpF.
Article in Biochimica et biophysica acta, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 24 papers.
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24 citing papers in PubMed, 38 citations in OpenAlex.
- Application of the Transition State Theory in the Study of the Osmotic Permeabilities of AQP7, AQP10 and GlpF.Membranes · 2025Article
- Metagenomics indicate that public health risk may be higher from flooding following dry versus rainy periods.Environmental microbiology reports · 2022Article
- Aquaglyceroporin AQP7's affinity for its substrate glycerol: Have we reached convergence in the computed values of glycerol-aquaglyceroporin affinity?RSC advances · 2022Article
- Application of the Brown dynamics fluctuation-dissipation theorem to the study of Plasmodium berghei transporter protein PbAQP.Frontiers in physics · 2020Article
- Quantitative study of unsaturated transport of glycerol through aquaglyceroporin that has high affinity for glycerol.RSC advances · 2020Article
- Aquaporin-7: A Dynamic Aquaglyceroporin With Greater Water and Glycerol Permeability Than Its Bacterial Homolog GlpF.Frontiers in physiology · 2020Article
- Single-channel permeability and glycerol affinity of human aquaglyceroporin AQP3.Biochimica et biophysica acta. Biomembranes · 2019Article
- Atomistic Analysis of ToxN and ToxI Complex Unbinding Mechanism.International journal of molecular sciences · 2018Article
- Computing osmotic permeabilities of aquaporins AQP4, AQP5, and GlpF from near-equilibrium simulations.Biochimica et biophysica acta. Biomembranes · 2017Article
- The Hevea brasiliensis XIP aquaporin subfamily: genomic, structural and functional characterizations with relevance to intensive latex harvesting.Plant molecular biology · 2016Article
- Pollen-Specific Aquaporins NIP4;1 and NIP4;2 Are Required for Pollen Development and Pollination in Arabidopsis thaliana.The Plant cell · 2016Article
- Water Disinfection Byproducts Induce Antibiotic Resistance-Role of Environmental Pollutants in Resistance Phenomena.Environmental science & technology · 2016Article
- 1,3-propanediol binds deep inside the channel to inhibit water permeation through aquaporins.Protein science : a publication of the Protein Society · 2016Article
- Revealing the binding modes and the unbinding of 14-3-3σ proteins and inhibitors by computational methods.Scientific reports · 2015Article
- Factors affecting the interactions between beta-lactoglobulin and fatty acids as revealed in molecular dynamics simulations.Physical chemistry chemical physics : PCCP · 2015Article
- Computing Protein-Protein Association Affinity with Hybrid Steered Molecular Dynamics.Journal of chemical theory and computation · 2015Article
- Borrelia burgdorferi: Carbon Metabolism and the Tick-Mammal Enzootic Cycle.Microbiology spectrum · 2015Article
- Hybrid Steered Molecular Dynamics Approach to Computing Absolute Binding Free Energy of Ligand-Protein Complexes: A Brute Force Approach That Is Fast and Accurate.Journal of chemical theory and computation · 2015Article
- Erythritol predicted to inhibit permeation of water and solutes through the conducting pore of P. falciparum aquaporin.Biophysical chemistry · 2015Article
- Ligand-modulated interactions between charged monolayer-protected Au144(SR)60 gold nanoparticles in physiological saline.Physical chemistry chemical physics : PCCP · 2015Article
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Abstract
Among aquaglyceroporins that transport both water and glycerol across the cell membrane, Escherichia coli glycerol uptake facilitator (GlpF) is the most thoroughly studied. However, one question remains: Does glycerol modulate water permeation? This study answers this fundamental question by determining the three-dimensional potential of mean force of glycerol along the permeation path through GlpF's conducting pore. There is a deep well near the Asn-Pro-Ala (NPA) motifs (6.5kcal/mol below the bulk level) and a barrier near the selectivity filter (10.1kcal/mol above the well bottom). This profile owes its existence to GlpF's perfect steric arrangement: The glycerol-protein van der Waals interactions are attractive near the NPA but repulsive elsewhere in the conducting pore. In light of the single-file nature of waters and glycerols lining up in GlpF's amphipathic pore, it leads to the following conclusion: Glycerol modulates water permeation in the μM range. At mM concentrations, GlpF is glycerol-saturated and a glycerol residing in the well occludes the conducting pore. Therefore, water permeation is fully correlated to glycerol dissociation that has an Arrhenius activation barrier of 6.5kcal/mol. Validation of this theory is based on the existent in vitro data, some of which have not been given the proper attention they deserved: The Arrhenius activation barriers were found to be 7kcal/mol for water permeation and 9.6kcal/mol for glycerol permeation; The presence of up to 100mM glycerol did not affect the kinetics of water transport with very low permeability, in apparent contradiction with the existent theories that predicted high permeability (0M glycerol).
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