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Molecular modelling of secondary and tertiary structures of hyaluronan, compared with electron microscopy and NMR data. Possible sheets and tubular structures in aqueous solution

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Abstract

Electron microscopy shows that hyaluronan (HA) forms sheets and tube-like structures in solution. Molecular modelling by Tartu plastic space-filling atomic models revealed that hydroxymethyl and carboxylate groups of HA anti-parallel chains can be joined by H-bonds. Using these bonds, HA molecules can be modelled as sheets and tubules. These tertiary structures have three kinds of lateral contact: (1) antiparallel chains stacked by hydrophobic patches; (2) parallel chains joined by both stacking interactions and H-bonds; and (3) crossing chains joined by H-bonds and stacking interactions. Sheet and tubular structures may explain some viscoelastic and biological properties of HA.

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Authors and Affiliations

  1. Molecular modelling laboratory, Institute of General and Molecular Pathology, Tartu University, Veski Street 34, EE2400, Tartu, Estonia

    Raik-Hiio Mikelsaar

  2. Chemical Morphology, Cell and Structural Biology, Chemistry Building, Manchester University, Oxford Road, M13 9PL, Manchester, UK

    John E. Scott

Authors
  1. Raik-Hiio Mikelsaar
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  2. John E. Scott
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Mikelsaar, RH., Scott, J.E. Molecular modelling of secondary and tertiary structures of hyaluronan, compared with electron microscopy and NMR data. Possible sheets and tubular structures in aqueous solution. Glycoconjugate J 11, 65–71 (1994). https://doi.org/10.1007/BF00731145

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  • DOI: https://doi.org/10.1007/BF00731145

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