ArticleStructure (London, England : 1993)2013
Multiscale simulations reveal conserved patterns of lipid interactions with aquaporins.
Article in Structure (London, England : 1993), 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 44 papers.
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Who cites it
44 citing papers in PubMed, 88 citations in OpenAlex.
- Structure and dynamics of cholesterol-mediated aquaporin-0 arrays and implications for lipid rafts.eLife · 2024Article
- Functional regulation of aquaporin dynamics by lipid bilayer composition.Nature communications · 2024Article
- Mechanosensitive aquaporins.Biophysical reviews · 2023Review
- Methods for studying mammalian aquaporin biology.Biology methods & protocols · 2023Review
- Membrane contact probability: An essential and predictive character for the structural and functional studies of membrane proteins.PLoS computational biology · 2022Article
- Native-like membrane models of E. coli polar lipid extract shed light on the importance of lipid composition complexity.BMC biology · 2021Article
- Identification and Characterization of Specific Protein-Lipid Interactions Using Molecular Simulation.Methods in molecular biology (Clifton, N.J.) · 2021Article
- Insights into Membrane Protein-Lipid Interactions from Free Energy Calculations.Journal of chemical theory and computation · 2019Article
- From quantum to subcellular scales: multi-scale simulation approaches and the SIRAH force field.Interface focus · 2019Review
- Computational Modeling of Realistic Cell Membranes.Chemical reviews · 2019Review
- Multiscale Simulations of Biological Membranes: The Challenge To Understand Biological Phenomena in a Living Substance.Chemical reviews · 2019Article
- Emerging Diversity in Lipid-Protein Interactions.Chemical reviews · 2019Review
- Characterization of Lipid-Protein Interactions and Lipid-Mediated Modulation of Membrane Protein Function through Molecular Simulation.Chemical reviews · 2019Review
- Folding and Misfolding of Human Membrane Proteins in Health and Disease: From Single Molecules to Cellular Proteostasis.Chemical reviews · 2019Article
- The MemProtMD database: a resource for membrane-embedded protein structures and their lipid interactions.Nucleic acids research · 2019Article
- GROmaρs: A GROMACS-Based Toolset to Analyze Density Maps Derived from Molecular Dynamics Simulations.Biophysical journal · 2019Article
- Review
- Interaction of the human erythrocyte Band 3 anion exchanger 1 (AE1, SLC4A1) with lipids and glycophorin A: Molecular organization of the Wright (Wr) blood group antigen.PLoS computational biology · 2018Article
- Temperature dependence of protein-water interactions in a gated yeast aquaporin.Scientific reports · 2017Article
- Localization and Ordering of Lipids Around Aquaporin-0: Protein and Lipid Mobility Effects.Frontiers in physiology · 2017Article
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
Abstract
Interactions of membrane proteins with lipid molecules are central to their stability and function. We have used multiscale molecular dynamics simulations to determine the extent to which interactions with lipids are conserved across the aquaporin (Aqp) family of membrane proteins. Simulation-based assessment of the lipid interactions made by Aqps when embedded within a simple phospholipid bilayer agrees well with the protein-lipid contacts determined by electron diffraction from 2D crystals. Extending this simulation-based analysis to all Aqps of known structure reveals a degree of conservation of such interactions across the Aqp structural proteome. Despite similarities in the binding orientations and interactions of the lipids, there do not appear to be distinct, high-specificity lipid binding sites on the surface of Aqps. Rather Aqps exhibit a more broadly conserved protein/lipid interface, suggestive of interchange between annular and bulk lipids, instead of a fixed annular "shell" of lipids.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.