Role of Histone Tails in Structural Stability of the Nucleosome

Biswas, Mithun; Voltz, Karine; Smith, Jeremy C.; Langowski, Jörg

doi:10.1371/journal.pcbi.1002279

Role of Histone Tails in Structural Stability of the Nucleosome

Journal Article · Thu Dec 15 00:00:00 EST 2011 · PLoS Computational Biology (Online)

DOI:https://doi.org/10.1371/journal.pcbi.1002279· OSTI ID:1627219

Biswas, Mithun ^[1]; Voltz, Karine ^[2]; Smith, Jeremy C. ^[3]; Langowski, Jörg ^[4]

Univ. of Heidelberg (Germany). Interdisciplinary Center for Scientific Computing (IWR). Computational Molecular Biophysics; DOE/OSTI
German Cancer Research Center (DKFZ), Heidelberg (Germany). Biophysics of Macromolecules
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Molecular Biophysics
German Cancer Research Center (DKFZ), Heidelberg (Germany). Biophysics of Macromolecules

Histone tails play an important role in nucleosome structure and dynamics. Here we investigate the effect of truncation of histone tails H3, H4, H2A and H2B on nucleosome structure with 100 ns all-atom molecular dynamics simulations. Tail domains of H3 and H2B show propensity of α-helics formation during the intact nucleosome simulation. On truncation of H4 or H2B tails no structural change occurs in histones. However, H3 or H2A tail truncation results in structural alterations in the histone core domain, and in both the cases the structural change occurs in the H2Aα3 domain. We also find that the contacts between the histone H2A C terminal docking domain and surrounding residues are destabilized upon H3 tail truncation. The relation between the present observations and corresponding experiments is discussed.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: German Research Foundation (DFG); USDOE Office of Science (SC), Biological and Environmental Research (BER). Biological Systems Science Division

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1627219

Journal Information:: PLoS Computational Biology (Online), Journal Name: PLoS Computational Biology (Online) Journal Issue: 12 Vol. 7; ISSN 1553-7358

Publisher:: Public Library of ScienceCopyright Statement

Country of Publication:: United States

Language:: English

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