Solution structure of the lipophosphoglycan of Leishmania donovani.
The three-dimensional solution structure of the repeating -PO4-6Gal beta 1-4Man alpha 1- disaccharide fragment of the lipophosphoglycan (LPG) derived from Leishmania donovani has been determined by use of a combination of homo- and heteronuclear NMR spin coupling constant measurements together with restrained molecular mechanical minimization and molecular dynamics simulations. The fragment exists with limited mobility in solution about the Gal beta 1-4Man linkages, whereas in contrast a variety of stable rotamers exist about the Man alpha 1-PO4-6Gal linkages. These rotamers define several major stable conformers in solution, which are discussed in terms of the proposed biological role of LPG.
Homans
S W
SW
Department of Biochemistry, University of Dundee, Scotland, U.K.
Mehlert
A
A
Turco
S J
SJ
D000818:Animals; D002236:Carbohydrate Conformation; D002240:Carbohydrate Sequence; D006028:Glycosphingolipids / Q000737:chemistry*; D007893:Leishmania donovani; D009682:Magnetic Resonance Spectroscopy / Q000379:methods; D008433:Mathematics; D008958:Models, Molecular; D008968:Molecular Conformation; D008969:Molecular Sequence Data; D013816:Thermodynamics
D006028:Glycosphingolipids; C008290:lipophosphonoglycan