Molecular dynamics simulations of the N-linked oligosaccharide of the lectin from Erythrina corallodendron

Protein Engineering

Volumn 10, Issue 11, 1997, Pages 1249-1261

  Naidoo, K J ^a,b   Denysyk, D ^a   Brady, J W ^a  

^a Cornell University ^*  (United States)

^b UNIVERSITY OF CAPE TOWN   (South Africa)

Author keywords

Erythrina corallodendron; Lectin; Molecular dynamics simulations; Oligosaccharide

Indexed keywords

ASPARAGINE LINKED OLIGOSACCHARIDE; DISACCHARIDE; LECTIN;

ARTICLE; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; ERYTHRINA; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; PROTEIN CONFORMATION;

ERYTHRINA CORALLODENDRON;

EID: 0031424426     PISSN: 02692139     EISSN: None     Source Type: Journal    
DOI: 10.1093/protein/10.11.1249     Document Type: Article

References (47)

1. Barrows,S.E., Dulles,F.J., Cramer,C.J., French,A.D. and Truhlar,D.G. (1995) Carbohydr. Res., 276, 219-251.
2. Becker,J.W., Reeke,G.N., Wang,J.L., Cunningham,B.A. and Edelman,G.M. (1975) J. Biol. Chem., 250, 1513-1524.
3. Bode,W., Meyer,E. and Powers,J.C. (1989) Biochemistry, 28, 1951-1963.
4. Bouwstra,J.B., Spoelstra,E.C., de Waard,P., Leeflang,B.R., Kamerling,J.P. and Vliegenthart,J.F.G. (1990) Eur. J. Biochem., 190, 113-122.
5. Brady,J.W. (1989) J. Am. Chem. Soc., 111, 5155-5165.
6. Brady,J.W. (1990) Adv. Biophys. Bioengng., 1, 155-202.
7. Brady,J.W and Schmidt,R.K. (1993) J. Phys. Chem., 97, 958-966.
8. Brooks,B.R., Bruccoleri,R.E., Olafson,B.D., Swaminathan,S. and Karplus,M. (1983) J. Comput. Chem., 4, 187-217.
9. Brooks,C.L., Brunger,A. and Karplus,M. (1985) Biopolymers, 24, 843-865.
10. Brooks,C.L., Karplus,M. and Pettitt,B.M. (1988) Proteins: a Theoretica Perspective of Dynamics, Structure, and Thermodynamics. Wiley-Interscience, New York.
11. Carver,J.P. (1991) Curr. Opin. Struct. Biol., 1, 716-720.
12. Carver,J.R. Mandel,D., Michnick,S.W., Imberty,A. and Brady,J.W. (1990) In French,A.D. and Brady,J.W. (eds). Computer Modeling of Carbohydrate Molecules. American Chemical Society, Washington, DC, pp. 266-280.
13. Casasnovas,J.M., Springer,T.A., Liu,J.-H., Harrison,S.C. and Wang,J.-H. (1997) Nature, 387, 312-315.
14. Cumming,D.A. and Carver,J.P. (1987) Biochemistry, 26, 6664-6676.
15. Engelsen,S.B., Herve du Penhoat,C. and Perez,S. (1995) J. Phys. Chem., 99, 13334-13351.
16. Ha,S.N., Giammona,A., Field,M. and Brady,J.W. (1988a) Carbohydr. Res., 180, 207-221.
17. Ha,S.N., Madsen,L.J. and Brady,J.W. (1988b) Biopolymers, 27, 1927-1952.
18. Homans,S.W., Dwek,R.A. and Rademacher,T.W. (1987a) Biochemistry, 26, 6553-6560.
19. Homans,S.W., Dwek,R.A. and Rademacher,T.W. (1987b) Biochemistry, 26, 6571-6578.
20. Homans,S.W., Pastore,A., Dwek,R.A. and Rademacher,T.W. (1987c) Biochemistry, 26, 6649-6655.
21. Imberty,A., Tran,V. and Perez,S. (1989) J. Comput Chem., 11, 205-216.
22. Imberty,A., Gerber,S., Tran,V. and Perez,S. (1990) Glycoconj. J., 7, 27-54.
23. Jorgensen,W.L., Chandrasekhar,J., Madura,J.D., Impey,R.W. and Klein,M.L. (1983) J. Chem. Phys., 79, 926-935.
24. Kouwijzer,M.L.C.E. van Eijck,B.P., Kroes,S.J. and Kroon,J. (1993) J. Comput. Chem., 14, 1281-1289.
25. Lis,H., Joubert,F.J. and Sharon,N. (1985) Phytochemistry, 24, 2803-2809.
26. Liu,Q. and Brady,J.W. (1966) J. Am. Chem. Soc., 118, 12276-12286.
27. Liu,Q., Schmidt,R.K., Teo,B., Karplus,P.A. and Brady,J.W. (1997) J. Am. Chem. Soc., 119, 1851-7862.
28. MacKerell,A.D. et al. (1992) FASEB J., 6, A143.
29. Naidoo,K.J. and Brady,J.W. (1977) J. Mol. Struct. (Theochem), in press.
30. Qasba,P.K., Balaji,P.V. and Rao,V.S.R. (1994) Glycobiology, 4, 805-815.
31. Rutherford,T.J. and Homans,S.W. (1994) Biochemistry, 33, 9606-9614.
32. Rutherford,T.J., Partridge,J., Weller,C.T. and Homans,S.W. (1993) Biochemistry, 32, 12715-12724.
33. Rutherford,T.J., Neville,D.C.A. and Homans,S.W. (1995) Biochemistry, 34, 14131-14137.
34. Scheraga,H.A. (1983) Biopolymers, 22, 1-14.
35. Schmidt,R., Trojan,C., Tasaki,K. and Brady,J.W. (1993) in P.Suominen and T.Reinikainen, (eds.) Computer Modeling Studies of Oligosaccharides. Proceedings of the Second TRICEL Symposium on Trichoderma Reesei Cellulases and Other Hydrolases. Espoo, Finland. Foundation for Biotechnical and Industrial Fermentation Research.
36. Schmidt,R.K., Karplus,M. and Brady,J.W. (1996) J. Am. Chem. Soc., 118, 541-546.
37. Shaanan,B., Lis,H. and Sharon,N. (1991) Science, 254, 862-866.
38. Stehle,T., Yan,Y., Benjamin,T.L. and Harrison,S.C. (1994) Nature, 369, 160-163.
39. Stubbs,H.J., Lih,J.J., Gustafson,T.L. and Rice,K.G. (1996) Biochemistry, 35, 937-947.
40. Tasaki,K., McDonald,S. and Brady,J.W. (1993) J. Comput. Chem., 14, 278-284.
41. Taylor,J.S., Teo,B., Wilson,D.B. and Brady,J.W. (1995) Protein Engng., 8, 1145-1152.
42. Tran,V., Buleon,A., Imberty,A. and Perez,S. (1989) Biopolymers, 28, 679-690.
43. Ueda,K. and Brady,J.W. (1996) Biopolymers, 38, 461-169.
44. van Gunsteren,W.F. and Berendsen,H.J.C. (1977) Mol. Phys., 34, 1311-1327.
45. Verlet,L. (1967) Phys. Rev., 159, 98-103.
46. Woods,R.J., Edge,C.J. and Dwek,R.A. (1994) Nature Struct. Biol., 1, 499-501.
47. Wyss,D.F., Choi,J.S., Li,J., Knoppers,M.H., Willis,K.J., Arulanandam,A.R.N., Smolyar,A., Reinherz,E.L. and Wagner,G. (1995) Science, 269, 1273-1278.