Conformational analysis of biantennary glycans and molecular modeling of their complexes with lentil lectin

Journal of Molecular Graphics and Modelling

Volumn 15, Issue 1, 1997, Pages 37-42

  Sokolowski, Tobias ^a   Peters, Thomas ^a   Pérez, Serge ^b   Imberty, Anne ^b  

^a Institut für Chemie   (Germany)

^b CENTRE DE RECHERCHES SUR LES MACROMOLÉCULES VÉGÉTALES CERMAV CNRS   (France)

Author keywords

Lens culinaris; Lentil lectin; Modeling; Molecular; Oligosaccharide

Indexed keywords

GLYCAN; PLANT LECTIN;

ARTICLE; CARBOHYDRATE ANALYSIS; COMPLEX FORMATION; CONFORMATION; FUCOSYLATION; HYDROGEN BOND; LECTIN BINDING; MOLECULAR MODEL; NONHUMAN; PRIORITY JOURNAL; PROTEIN STRUCTURE;

EID: 0030729998     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(97)00011-9     Document Type: Article

References (14)

1. Kornfeld, K., Reitman, M.L., and Kornfeld, R. The carbohydrate-binding specificity of pea and lentil leetins. Fucose is an important determinant. J Biol Chem. 1981, 256, 6633-6640
2. Bourne, Y., Rougé, P., and Cambillau, C. X-ray structure of a biantennary octasaccharide - lectin complex refined at 2.3 angstrom resolution. J Biol Chem. 1992, 267, 197-203
3. Bourne, Y., Mazurier, J., Legrand, D., Rougé, P., Montreuil, J., Spik, G., and Cambillau, C. Structures of a legume lectin complexed with the human lactotransferrin N2 fragment, and with an isolated biantennary glycopeptide: Role of fucose moiety. Structure 1994, 2, 209-219
4. Loris, R., Steyaert, J., Maes, D., Lisgarten, J., Pickersgill, R., and Wyns, L. Crystal structure determination and refinement at 2.3-Å resolution of the lentil lectin. Biochemistry 1993, 32, 8772-8781
5. Loris, R., van Overberge, D., Dao-Thi, M.-H., Poortmanns, F., Maene, N., and Wyns, L. Structural analysis of two crystal forms of lentil lectin at 1.8 angstrom resolution. Proteins Struct. Funct. Gen. 1994, 20, 330-346
6. Casset, F., Hamelryck, T., Loris, R., Brisson, J.-R., Tellier, C., Dao-Thi, M.-H., Wyns, L., Poortmans, F., Pérez, S., and Imberty, A. NMR, molecular modeling and crystallographic studies of lentil lectin - sucrose interaction. J. Biol. Chem. 1995, 270, 25619-25628
7. White, D.N.J., and Guy, M.H.P. The molecular conformation of cyclo-beta-alanyl. J. Chem. Soc. Perkin Trans. 1975, 2, 43-46
8. Pérez, S., Meyer, C., and Imberty, A. Practical tools for accurate modeling of complex carbohydrates and their interactions with proteins. In: Modelling of Biomolecular Structures and Mechanisms (A. Pullman, J. Jortner, and B. Pullman, eds.). Kluwer Academic Publishers, Dordrecht, 1996, pp. 425-454
9. Allinger, NL., Yuh, Y.H., and Lii, J.H. Molecular mechanics. The MM3 force field for hydrocarbons. J. Am. Chem. Soc. 1989, 111, 8551-8567
10. Allinger, N.L., Rahman, M., and Lii, J.H. A molecular mechanics force field (MM30) for alcohols and ethers. J. Am. Chem. Soc. 1990, 112, 8293-8307
11. Koca, J. Computer program CICADA - travelling along conformational potential energy hypersurface. J. Mol. Struct. (Theochem.) 1994, 308, 13-24
12. Koca, J., Pérez, S., and Imberty, A. Conformational analysis and flexibility of carbohydrates using the CICADA approach with MM3. J. Comput. Chem. 1995, 16, 296-310
13. Loris, R., Casset, F., Bouckaert, J., Pletinckx, J., DaoThi, M.-H., Poortmans, F., Imberty, A., Pérez, S., and Wyns, L. The monosaccharide binding site of lentil lectin: An X-ray and molecular modelling study. Glycoconj. J. 1994, 11, 507-517
14. Loris, R., Stas, P.P.G., and Wyns, L. Conserved waters in legume lectin crystal structures. J. Biol. Chem. 1994, 269, 26722-26733