A 3D-structural model of unsulphated chondroitin from high-field NMR: 4-sulphation has little effect on backbone conformation
beta-D-glucuronic acid; D-glucuronic acid; glucuronic acid
N-acetyl-beta-D-galactosamine; 2-acetamido-2-deoxy-beta-D-galactose; 2-acetamido-2-deoxy-D-galactose; 2-acetamido-2-deoxy-galactose; N-ACETYL-D-GALACTOSAMINE
A 3D-structural model of unsulfated chondroitin from high-field NMR: 4-sulfation has little effect on backbone conformation.
beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose
750 nanoseconds explicit solvent (TIP3P) molecular dynamics simulated annealing within the NPT ensemble
5-10 mM [U-15N] unsulphated chondroitin, 90% H2O/10% D2O
UNSULPHATED CHONDROITIN, CONFORMATION, N-ACETYL-D-GALACTOSAMINE, D-GLUCURONIC ACID, EXPLICIT SOLVENT MOLECULAR DYNAMICS SIMULATION, EXTRACELLULAR MATRIX, GLYCOSAMINOGLYCAN, CARBOHYDRATE