4.7 Article

Microcompartment assembly around multicomponent fluid cargoes

期刊

JOURNAL OF CHEMICAL PHYSICS
卷 156, 期 24, 页码 -

出版社

AIP Publishing
DOI: 10.1063/5.0089556

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资金

  1. National Institute of General Medical Sciences [R01GM108021]
  2. Brandeis Center for Bioinspired Soft Materials, NSF MRSEC [DMR-2011846]
  3. Brandeis HPCC

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This article presents a dynamical simulation of the assembly process of an icosahedral protein shell around a bicomponent fluid cargo. The study demonstrates that the relative interaction strengths among different cargo species are crucial in determining the encapsulation, spatial organization, and assembly pathways of the shell. The findings have implications for understanding natural microcompartments and accelerating specific reactions in synthetic biology.
This article describes dynamical simulations of the assembly of an icosahedral protein shell around a bicomponent fluid cargo. Our simulations are motivated by bacterial microcompartments, which are protein shells found in bacteria that assemble around a complex of enzymes and other components involved in certain metabolic processes. The simulations demonstrate that the relative interaction strengths among the different cargo species play a key role in determining the amount of each species that is encapsulated, their spatial organization, and the nature of the shell assembly pathways. However, the shell protein-shell protein and shell protein-cargo component interactions that help drive assembly and encapsulation also influence cargo composition within certain parameter regimes. These behaviors are governed by a combination of thermodynamic and kinetic effects. In addition to elucidating how natural microcompartments encapsulate multiple components involved within reaction cascades, these results have implications for efforts in synthetic biology to colocalize alternative sets of molecules within microcompartments to accelerate specific reactions. More broadly, the results suggest that coupling between self-assembly and multicomponent liquid-liquid phase separation may play a role in the organization of the cellular cytoplasm. (c) 2022 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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