Conformational features of carrabiose polymers: I. Configurational statistics of kappa-carrageenan

Int J Biol Macromol. 1993 Feb;15(1):24-9. doi: 10.1016/s0141-8130(05)80084-4.

Abstract

Potential energy functions evaluating both repulsive-attractive van der Waals non-bonding interactions and electrostatic interactions have been used to evaluate the conformational energies of the repeating units of the kappa-carrageenan polymers. Structural parameters have been obtained by minimization MNDO procedures (MOPAC). Energy maps have been calculated for the (1-3) alpha-D-galactose-4-sulphate (GS) and the (1-4)-3,6-anhydro-alpha-D-galactose (A) residues, taking into account the conformational freedom of the sulphate group. The configurational statistics of the random coiled kappa-carrageenan chain have been explored, disclosing a highly flexible character, which can mainly be ascribed to the random occurrence of two different conformers of the GS-A dimeric unit.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Carbohydrate Conformation
  • Carbohydrate Sequence
  • Carrageenan / chemistry*
  • Computer Simulation
  • Molecular Sequence Data
  • Oligosaccharides / chemistry*

Substances

  • Oligosaccharides
  • carrabiose
  • Carrageenan