1hua
From Proteopedia
OCA (Talk | contribs)
(New page: 200px<br /><applet load="1hua" size="450" color="white" frame="true" align="right" spinBox="true" caption="1hua" /> '''THE SOLUTION CONFORMATION OF HYALURONAN: A C...)
Next diff →
Revision as of 00:58, 25 November 2007
|
THE SOLUTION CONFORMATION OF HYALURONAN: A COMBINED NMR AND MOLECULAR DYNAMICS STUDY
Overview
Hyaluronan (HA) is a negatively charged glycosaminoglycan that exhibits a, wide variety of biological effects mediated by binding to cell-surface and, extracellular matrix proteins (hyaladherins). Short HA oligosaccharides, have been shown to retain the specific interactions and biological effects, of high molecular weight HA. Although it has a simple disaccharide, repeating unit, the aqueous solution conformation of HA has been very, difficult to determine because of strong coupling and overlapping, resonances. In this study, we propose aqueous solution conformations for, an octasaccharide of HA, derived from proton-proton NOE data and, restrained molecular dynamics. To overcome spectral overlap and strong, coupling, alternate methods for extracting distance restraints were, employed. Restrained molecular dynamics calculations yielded one set of, interglycosidic angle values for the beta (1,3) linkage (phi 13 = 46, degrees, psi 13 = 24 degrees). In contrast, two sets of values for the, beta (1,4) linkage were consistent with the NOE restraints (phi 14 = 24, degrees, psi 14 = -53 degrees or phi 14 = 48 degrees, psi 14 = 8 degrees)., The potential difference in flexibility for the two linkages is consistent, with unrestrained as well as the restrained molecular dynamics, trajectories described here. The conformational parameters obtained from, restrained molecular dynamics are used to predict helical parameters of, high molecular weight HA and will provide a basis for studies of HA, binding to proteins.
About this Structure
1HUA is a Protein complex structure of sequences from [1]. Full crystallographic information is available from OCA.
Reference
The solution conformation of hyaluronan: a combined NMR and molecular dynamics study., Holmbeck SM, Petillo PA, Lerner LE, Biochemistry. 1994 Nov 29;33(47):14246-55. PMID:7947836
Page seeded by OCA on Sun Nov 25 03:05:39 2007
