Theory of density waves and organization of proteins in icosahedral virus capsids

Konevtsova, Olga V.; Chalin, Dmitrii V.; Rochal, Sergei B.

doi:10.1039/d3cp05384a

Phys. Chem. Chem. Phys.

2024

DOI: 10.1039/d3cp05384a

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Theory of density waves and organization of proteins in icosahedral virus capsids

Olga V. Konevtsova,

Dmitrii V. Chalin,

Sergei B. Rochal

Abstract: Simplest icosahedral interference patterns of protein density waves rationalize the structural organization of small and middle size viral shells.

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2024

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References 60 publications

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Proteinaceous Nanoshells with Quasicrystalline Local Order

Rochal,

Roshal,

Konevtsova

et al. 2024

Phys. Rev. X

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Among various proteinaceous nanocontainers and nanoparticles, the most promising ones for various applications in nano- and medical science appear to be those whose structures differ fundamentally from icosahedral viral capsids described by the paradigmatic Caspar-Klug model. By analyzing such anomalous assemblies represented in the Protein Data Bank, we identify a series of shells with square-triangular local order and find that most of them originate from short-period approximants of a dodecagonal tiling consisting of square and triangular tiles. Examining the nonequilibrium assembly of such packings, we propose a new method for obtaining periodic square-triangle approximants and then construct the simplest models of tetragonal, octahedral, and icosahedral shells based on cubic and icosahedral nets cut from the approximant structures. Since gluing the nets can change the distances between adjacent vertices of the resulting shell, we introduce an effective energy, the minimization of which equalizes these distances. While the obtained spherical polyhedra reproduce the structures of experimentally observed protein shells and nanoparticles, the principles of protein organization that we lay out, and the ensuing structural models, can help to discover and investigate similar systems in the future. Published by the American Physical Society 2024

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Proteinaceous Nanoshells with Quasicrystalline Local Order

Rochal,

Roshal,

Konevtsova

et al. 2024

Phys. Rev. X

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show abstract

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Theory of density waves and organization of proteins in icosahedral virus capsids

Abstract: Simplest icosahedral interference patterns of protein density waves rationalize the structural organization of small and middle size viral shells.

Cited by 1 publication

References 60 publications

Proteinaceous Nanoshells with Quasicrystalline Local Order

Proteinaceous Nanoshells with Quasicrystalline Local Order

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