Abstract
In order to probe the roles of PIP2 in the interactions between MIM I-BAR and model membranes, we performed a series of 10 μs-scale coarse-grained molecular dynamics simulations. Our results indicate that PIP2 plays predominant roles in the membrane binding of MIM I-BAR in a concentration-dependent manner and via electrostatic interactions. Besides, we find that the occurrence of the membrane curvature may induce the re-distribution of lipids in the membrane and result in the local enrichment of PIP2 at negatively curved membrane areas. Combining these roles of PIP2 in the membrane binding of MIM I-BAR helps explain how MIM I-BAR senses negative curvature and, thus, contributes to maintaining membrane protrusions.
Keywords:
MIM I-BAR; PIP2; molecular dynamics simulations.
© 2018 Federation of European Biochemical Societies.
Publication types
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Research Support, Non-U.S. Gov't
MeSH terms
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Amino Acid Sequence
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Cell Membrane / chemistry
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Cell Membrane / metabolism*
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Humans
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Inositol Phosphates / chemistry*
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Inositol Phosphates / metabolism*
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Inositol Phosphates / pharmacokinetics
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Lipid Bilayers / chemistry
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Lipid Bilayers / metabolism
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Microfilament Proteins / chemistry*
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Microfilament Proteins / metabolism*
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Microfilament Proteins / pharmacokinetics
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Molecular Dynamics Simulation
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Neoplasm Proteins / chemistry*
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Neoplasm Proteins / metabolism*
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Neoplasm Proteins / pharmacokinetics
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Phosphatidylserines / chemistry
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Phosphatidylserines / metabolism
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Phosphatidylserines / pharmacokinetics
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Protein Binding
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Protein Interaction Domains and Motifs
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Protein Structure, Tertiary
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Static Electricity
Substances
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Inositol Phosphates
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Lipid Bilayers
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MTSS1 protein, human
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Microfilament Proteins
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Neoplasm Proteins
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Phosphatidylserines
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inositol 3,4-bisphosphate
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1-palmitoyl-2-oleoylglycero-3-phosphoserine