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首页> 外文期刊>Proceedings of the National Academy of Sciences of the United States of America. >Design principles of PI(4,5)P2 clustering under protein-free conditions: Specific cation effects and calcium-potassium synergy
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Design principles of PI(4,5)P2 clustering under protein-free conditions: Specific cation effects and calcium-potassium synergy

机译：Design principles of PI(4,5)P2 clustering under protein-free conditions: Specific cation effects and calcium-potassium synergy

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摘要

Phosphatidylinositol 4,5-bisphosphate (PIP2) clustering is a key component in cell signaling, yet little is known about the atomic-level features of this phenomenon. Network-theoretic analysis of multimicrosecond atomistic simulations of PIP2 containing asymmetric bilayers under protein-free conditions, presented here, reveals how design principles of PIP2 clustering are determined by the specific cation effects. Ca2+ generates large clusters (6 are pentamer or larger) by adding existing PIP2 dimers formed by strong O-Ca2+-O bridging interactions of unprotonated P4/P5 phosphates. In contrast, monovalent cations (Na+ and K+) form smaller and less-stable clusters by preferentially adding PIP2 monomers. Despite having the same net charge, the affinity to P4/P5 is higher for Na+, while affinity toward glycerol P1 is higher for K+. Conse-+ 2+ 2+quently, a mixture of K+ and Ca + (as would be produced by Ca + influx) synergistically yields larger and more stable clusters than Ca2+ alone due to the different binding preferences of these cations.

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