Hydrogen Bonds in GlcNAc(β1,3)Gal(β)OMe in DMSO Studied by NMR Spectroscopy and Molecular Dynamics Simulations

Bulletin of the Korean Chemical Society

Volumn 25, Issue 2, 2004, Pages 198-202

  Shim, Gyuchang ^a   Shin, Jaemin ^b   Kim, Yangmee ^a  

^a Konkuk University   (South Korea)

^b IDRTech Inc   (South Korea)

Author keywords

GlcNAc( 1,3)Gal( )OMe; Hydrogen bond; Molecular dynamics simulation; NMR spectroscopy; SIMPLE NMR

Indexed keywords

CARBOHYDRATE; DIMETHYL SULFOXIDE; N ACETYLGLUCOSAMINE; N ACETYLGLUCOSAMINE BETA 1,3 O METHYL BETA GALACTOSE; UNCLASSIFIED DRUG; WATER;

AQUEOUS SOLUTION; ARTICLE; CARBOHYDRATE ANALYSIS; CONFORMATION; ENERGY; HYDROGEN BOND; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; NUCLEAR OVERHAUSER EFFECT; SIMPLE NUCLEAR MAGNETIC RESONANCE; SIMULATION; TEMPERATURE;

EID: 1842509173     PISSN: 02532964     EISSN: None     Source Type: Journal    
DOI: 10.5012/bkcs.2004.25.2.198     Document Type: Article

References (34)

1. Cheong, Y.; Shim, G.; Kang, D.; Kim, Y. J. Mol. Struct. 1999, 475, 219.
2. Shim, G.; Lee, S.; Kim, Y. Bull. Korean Chem. Soc. 1997, 18, 415.
3. Lee, K.; Lee, S.; Jhon, G.; Kim, Y. Bull. Korean Chem. Soc. 1998, 19, 566.
4. Kozar, T.; Tvaroska, I.; Carver, J. P. Glycoconj. J. 1998, 15(2), 187.
5. Hoog, C.; Rotondo, A.; Johnston, B. D.; Pinto, B. M. Carbohydr. Res. 2002, 337, 2023.
6. Oh, J.; Kim, Y.; Won, Y. Bull. Korean Chem. Soc. 1995, 16, 1153.
7. Tvaroska, I.; Taravel, F. R.; Utille, J. P.; Carver, J. P. Carbohydr. Res. 2002, 337, 353.
8. Kuttel, M.; Brady, J. W.; Naidoo, K. J. J. Comput. Chem. 2002, 3, 1236.
9. Naidoo, K. J.; Denysyk, D.; Brady, J. W. Protein Eng. 1997, 10, 1249.
10. Brady, J. W.; Schmidt, R. K. J. Phys. Chem. 1993, 97, 958.
11. Stevensson, B.; Hoeoeg, C.; Ulfstedt-Jaekel, K.; Huang, Z.; Widmalm, G.; Mallnlak, A. J. Phys. Chem. B 2000, 104, 6065.
12. Jimenez, B. J. L.; Van Rooijen, J. J.; Erbel, P. J.; Leeflang, B. R.; Kamerling, J. P.; Vliegenthart, J. F. J. Biomol. NMR 2000, 16, 59.
13. Imberty, A. Curr. Opin. Struct. Biol. 1997, 7, 617.
14. French, A. D.; Dowd, M. K.; Reilty, P. J. J. Mol. Struct. 1997, 395, 271.
15. French, A. D.; Brady, J. W. Computer modeling of Carbohydrate Molecules; American Chemical Society: Washinton, DC, 1990.
16. Christofides, J. C.; Davies, D. B.; Martin, J. A.; Rathbone, E. B. J. Am. Chem. Soc. 1986, 108, 5738.
17. Reynhardt, E. C.; Reuben, J. J. Am. Chem. Soc. 1987, 109, 316.
18. Adams, B.; Lerner, L. J. Am. Chem. Soc. 1992, 114, 4827.
19. Weimer, T.; Bukowski, R.; Young, N. M. J. Biol. Chem. 2000, 275, 37006.
20. Bekiroglu, S.; Sandstrom, C.; Norberg, T.; Kenne, L. Carbohydrate Research 2000, 328, 409.
21. Podolsky, D. K. J. Biol. Chem. 1985, 260, 8262.
22. Bekiroglu, S.; Sandstron, C.; Norberg, T.; Kenne, L. Carbohydrate Research 2000, 328, 409.
23. Molecular Simulation Inc., San Diego, CA.
24. Bodenhausen, G.; Freeman, R.; Niedermeyer, R.; Turner, D. L. J. Magn. Reson. 1977, 26, 133.
25. Bax, A.; Davis, D. G. J. Magn. Reson. 1985, 65, 355.
26. Kessler, H.; Gehrke, M.; Griesinger, C. Angew. Chem. 1988, 100, 507.
27. Bax, A.; Ikura, M.; Kay, L. E.; Torchia, D. A.; Tschudin, R. J. Magn. Reson. 1990, 86, 304.
28. Macura, S.; Ernst, R. R. Mol. Phys. 1980, 41, 95.
29. Bothner-By, A. A.; Stephens, R. L.; Lee, J. J. Am. Chem. Soc. 1984, 106, 811.
30. Brooks, S. R.; Bruccoleir, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. J. Comput. Chem. 1983, 4, 187.
31. Liu, H.; Muller, F.; Gunsteren, W. F. J. Am. Chem. Soc. 1995, 117, 4363.
32. Burgi, R.; Daura, X.; Mark, A.; Bellanda, M.; Mammi, S.; Peggion, E.; Van Gunsteren, W. J. Pept. Res. 2001, 57, 107.
33. Kurnikova, M. G.; Balabai, N.; Waldeck, D. H.; Coalson, R. D. J. Am. Chem. Soc. 1998, 120, 6121.
34. Kessler, H.; Matter, H.; Gemmecker, G.; Di, H. J.; Isernia, C.; Mronga, S. Intern. J. Pept. Prot. Res. 1994, 43, 47.