title: Conformational analysis of two glycoproteins: a Monte Carlo simulated annealing approach using a soft-sphere potential.
abstract: The Monte Carlo simulated annealing method was effectively used to predict the three-dimensional structure of the carbohydrate part of two glycoproteins: 1 vsg and 2 fbj from a protein data bank, utilizing a soft-sphere potential. The result was compared both to the crystal structure and to the structure of the corresponding isolated oligosaccharide structure simulated using an ECEPP/2 force field. A good agreement with crystal structure was reached. The interaction with the protein environment was found to significantly influence the structure of the carbohydrate moiety.
authors.affiliation: Institute of Physical Chemistry, Peking University, Beijing, People's Republic of China.
authors.forename: H
authors.initials: H
authors.lastname: Zhang
authors.forename: Y
authors.initials: Y
authors.lastname: Yang
authors.forename: L
authors.initials: L
authors.lastname: Lai
authors.forename: Y
authors.initials: Y
authors.lastname: Tang
mesh_terms: D002236:Carbohydrate Conformation; D002240:Carbohydrate Sequence; D018360:Crystallography, X-Ray; D016208:Databases, Factual; D006023:Glycoproteins / Q000737:chemistry*; D008958:Models, Molecular; D008969:Molecular Sequence Data; D009010:Monte Carlo Method; D009844:Oligosaccharides / Q000737:chemistry* / Q000302:isolation & purification; D011487:Protein Conformation
chemical_list: D006023:Glycoproteins; D009844:Oligosaccharides