Dermatan sulfate molecular conformation

The conformation of dermatan 4-sulfate, in which C5 of the glucuronic acid has been epimerised, is still unsettled. Fibre X-ray data fitted models in which the a-L-IdoA residue was in the conformation better than those in which it was in the 4 conformation. Models containing skew conformers were not considered and NMR studies have since established that in D2O solutions of dermatan 4-sulfate, the a-L-IdoA residues are in the C4 or So conformations. Molecular dynamics simulations have also supported a Sq conformation for the iduronate in dermatan sulfate. ... 

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