Conformational dynamics of sialyl lewisx in Aqueous Solution and Its Interaction with SelectinE. A Study by Molecular Dynamics

Journal of Biomolecular Structure and Dynamics

Volumn 23, Issue 1, 2005, Pages 101-111

  Veluraja, Kasinadar ^a   Margulis, Claudio J ^a  

^a E11 SSH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ENDOTHELIAL LEUKOCYTE ADHESION MOLECULE 1; OLIGOSACCHARIDE; SIALYL LEWIS X ANTIGEN;

AQUEOUS SOLUTION; ARTICLE; CHEMICAL STRUCTURE; CONFORMATION; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PRIORITY JOURNAL; PROTEIN BINDING; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; E-SELECTIN; GLYCOSIDES; HYDROGEN BONDING; LYSINE; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; OLIGOSACCHARIDES; PROTEIN BINDING; PROTEIN CONFORMATION; SOFTWARE; WATER;

EID: 20944433816     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.2005.10507051     Document Type: Article

References (34)

1. Rao, V. S. R., Quasba, P. K., Balaji, P. V., and Chandrasekaran, R., 1998. Conformations of Carbohydrates. Singapore:Hanwood.
2. Veluraja, K., Suresh, M. X., Christlet, T. H. T., and Rafi, Z. A., 2001. Journal of Biomolecular Structure & Dynamics, 19:33–45.
3. Suresh, M. X., and Veluraja, K., 2003. Journal of Theoretical Biology, 222:389–402.
4. Sharmila, D. J. S., and Veluraja, K., 2004. Journal of Biomolecular Structure & Dynamics, 21:591–613.
5. Sharmila, D. J. S., and Veluraja, K., 2004. Journal of Biomolecular Structure & Dynamics, 22:299–313.
6. Woods, R. J., 1998. Glycoconjugate Journal, 15:209–216.
7. Nelson, R. M., Venot, A., Bevilacqua, P., Linhardt, R. J., and Stamenkovic, I., 1995. Annual Review of Cell and Developmental Biology, 11:601–631.
8. Ley, K., 1996. Cardiovascular Research, 32:733–742.
9. DeFrees, S. A., Kosch, W., Way, W., Paulson, J. C., Sabesan, S., Halcomb, R. L., Huang, D. H., Ichikawa, Y., and Wong, C. H., 1995. Journal of the American Chemical Society, 117:66–79.
10. Chihara, S., 2002. Kurume Medical Journal, 49:191–199.
11. Kannagi, R., Izawa, M., Koike, T., Miyazaki, K., and Kimura, N., 2004. Cancer Science, 95:377384
12. Easton, E. W., Schiphorst, W. E.C. M., van Drunen, E., van der Schoot, C. E., and van den Eijnden, D. H., 1993. Blood, 81:2978–2986.
13. Ross, E. L., Barker, J. N.W. N., Allen, M. H., Chu, A. C., Groves, R. W., and MacDonald, D. M., 1994. Immunology, 81:303–308.
14. Zogakis, T. G., and Libutti, S. K., 2001. Expert Opinion on Biological Therapy, 1:253–275.
15. Martin, J. L., Veluraja, K., Ross, K., Johnson, L. N., Fleet, G. W. J., Ramsden, N. G., Bruce, I., Orchard, M. G., Oikonomakos, N. G., Papageorgiou, A. C., Leonidas, D. D., and Tsitoura, H. S., 1991. Biochemistry, 30:10101–10116.
16. Merritt, E. A., Sarfaty, S., van den Akker, F., L'Hoir, C. L., Martial, J. A., and Hol, W. G. J., 1994. Protein Science, 3:166–175.
17. Ravishankar, R., Ravindran, M., Suguna, K., Surolia, A., and Vijayan, M., 1997. Current Science, 72:855–861.
18. Roske, Y., Sunna, A., Pfeil, W., and Heinemann, U., 2004. Journal of Molecular Biology, 340:543–554.
19. Swaminathan, G. J., Holloway, D. E., Veluraja, K., and Acharya, K. R., 2002. Biochemistry, 41:3341–3352.
20. Rutherford, T. J., Spackman, D. G., Simpson, P. J., and Homans, S. W., 1994. Glycobiology, 4:5968
21. Corchado, J. C., Sanchez, M. L., and Aguilar, M. A., 2004. Journal of the American Chemical Society, 126:7311–7319.
22. Poppe, L., Brown, G. S., Philo, J. S., Nikrad, P. V., and Shah, B. H., 1997. Journal of the American Chemical Society, 119:1727–1736.
23. Lommerse, J. P. M., Kroon-Batenburg, L. M. J., Kroon, J., Kamerling, J. P., and Vliegenthart, J. F. G., 1995. Journal of Biomolecular NMR, 6:79–94.
24. Kogelberg, H., Frenkiel, T. A., Homans, S. W., Lubineau, A., and Feizi, T., 1996. Biochemistry, 35:1954–1964.
25. Rinnbauer, M., Ernst, B., Wagner, B., Magnani, J., Benie, A. J., and Peters, T., 2003. Glycobiology, 13:435–443.
26. Somers, W. S., Tang, J., Shaw, G. D., and Camphausen, R. T., 2000. Cell, 103:467–479.
27. Arnott, S., and Scott, W. E., 1972. Journal of the Chemical Society, Perkin Transactions 2, 3:324–335.
28. Flippen, J. L., 1973. Acta Crystallographica B, 29:1881–1886.
29. Wang, J. M., Cieplak, P., and Kollman, P. A., 2000. Journal of Computational Chemistry, 21:1049–1074.
30. Cornell, W. D., Cieplak, P., Bayly, C. I., Gould, I. R., Merz, K. M., Ferguson, D. M., Spellmeyer, D. C., Fox, T., Caldwell, J. W., and Kollman, P. A., 1995. Journal of the American Chemical Society, 117:5179–5197.
31. Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R., Montgomery, J., Vreven, J. A.T., Kudin, K. N., Burant, J. C., Millam, J. M., Iyengar, S. S., Tomasi, J., Barone, V., Mennucci, B., Cossi, M., Scalmani, G., Rega, N., Petersson, G. A., Nakatsuji, H., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Klene, M., Li, X., Knox, J. E., Hratchian, H. P., Cross, J. B., Bakken, V., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R. E., Yazyev, O., Austin, A. J., Cammi, R., Pomelli, C., Ochterski, J. W., Ayala, P. Y., Morokuma, K., Voth, G. A., Salvador, P., Dannenberg, J. J., Zakrzewski, V. G., Dapprich, S., Daniels, A. D., Strain, M. C., Farkas, O., Malick, D. K., Rabuck, A. D., Raghavachari, K., Foresman, J. B., Ortiz, J. V., Cui, Q., Baboul, A. G., Clifford, S., Cioslowski, J., Stefanov, B. B., Liu, G., Liashenko, A., Piskorz, P., Komaromi, I., Martin, R. L., Fox, D. J., Keith, T., Al-Laham, M. A., Peng, C. Y., Nanayakkara, A., Challacombe, M., Gill, P. M. W., Johnson, B., Chen, W., Wong, M. W., Gonzalez, C., and Pople, J. A., 2003.
32. Gerken, T. A., and Dearborn, D. G., 1984. Biochemistry, 23:1485–1497.
33. Kale, L., Skeel, R., Bhandarkar, M., Brunner, R., Gursoy, A., Krawetz, N., Phillips, J., Shinozaki, A., Varadarajan, K., and Schulten, K., 1999. Journal of Computational Physics, 151:283–312.
34. Veluraja, K., and Rao, V. S. R., 1984. Journal of Biosciences, 6:625–634.