Cation-π interactions in structural biology

Proceedings of the National Academy of Sciences of the United States of America

Volumn 96, Issue 17, 1999, Pages 9459-9464

  Gallivan, Justin P ^a   Dougherty, Dennis A ^a  

^a California Institute of Technology   (United States)

Author keywords

Electrostatics; Protein structure

Indexed keywords

AMINO ACID SEQUENCE; ARTICLE; CALCULATION; CATION TRANSPORT; CRYSTAL STRUCTURE; ELECTRICITY; GEOMETRY; PRIORITY JOURNAL; PROTEIN INTERACTION; PROTEIN STRUCTURE;

ARGININE; CATIONS; HISTIDINE; LYSINE; MODELS, CHEMICAL; MODELS, MOLECULAR; PHENYLALANINE; PROTEIN CONFORMATION; PROTEINS; TRYPTOPHAN; TYROSINE;

EID: 0033578302     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.96.17.9459     Document Type: Article

References (37)

1. Dougherty, D. A. (1996) Science 271, 163-168.
2. Ma, J. C. & Dougherty, D. A. (1997) Chem. Rev. 97, 1303-1324.
3. Scrutton, N. S. & Raine, A. R. C. (1996) Biochem. J. 319, 1-8.
4. Sussman, J. L., Harel, M., Frolow, F., Oefner, C., Goldman, A., Toker, L. & Silman, I. (1991) Science 253, 872-879.
5. Zhong, W., Gallivan, J. P., Zhang, Y., Li, L., Lester, H. A. & Dougherty, D. A. (1998) Proc. Natl. Acad. Sci. USA 95, 12088-12093.
6. Perutz, M. F., Fermi, G., Abraham, D. J., Poyart, C. & Bursaux, E. (1986) J. Am. Chem. Soc. 108, 1064-1078.
7. Levitt, M. & Perutz, M. F. (1988) J. Mol. Biol. 201, 751-754.
8. Perutz, M. F. (1993) Philos. Trans. R. Soc. London A 345, 105-112.
9. Burley, S. K. & Petsko, G. A. (1986) FEBS Lett. 203, 139-143.
10. Deakyne, C. A., Meot-Ner, M. (1985) J. Am. Chem. Soc. 107, 474-479.
11. Rodham, D. A., Suzuki, S., Suenram, R. D., Lovas, F. J., Dasgupta, S., Goddard, W. A., III & Blake, G. A. (1993) Nature (London) 362, 735-737.
12. Singh, J. & Thornton, J. M. (1990) J. Mol. Biol. 211, 595-615.
13. Mitchell, J. B., Nandi, C. L., Thornton, J. M., Prince, S. L., Singh, J. & Snarey, M. (1993) J. Chem. Soc. Faraday Trans. 89, 2619-2630.
14. Mitchell, J. B. O., Nandi, C. L., McDonald, I. K., Thornton, J. M. & Price, S. L. (1994) J. Mol. Biol. 239, 315-331.
15. Nandi, C. L., Singh, J. & Thornton, J. M. (1993) Protein Eng. 6, 247-259.
16. Mitchell, J. B. O., Laskowski, R. A. & Thornton, J. M. (1997) Proteins 29, 370-380.
17. Singh, J. & Thornton, J. M. (1992) Atlas of Protein Side-Chain Interactions (IRL, Oxford), Vol. 1 and 2.
18. Flocco, M. M. & Mowbray, S. L. (1994) J. Mol. Biol. 235, 709-717.
19. Hendlich, M. (1998) Acta Crystallogr. D 54, 1178-1182.
20. Wouters, J. (1998) Protein Sci. 7, 2472-2475.
21. Abola, E. E., Bernstein, F. C., Bryant, S. H., Koetzle, T. F. & Weng, J. (1987) Protein Data Bank, eds. Abola, E. E., Bernstein, F. C., Bryant, S. H., Koetzle, T. F. & Weng, J. (Data Commission of the International Union of Crystallography, Bonn), pp. 107-132.
22. Jorgensen, W. L. & Tirado-Rives, J. (1988) J. Am. Chem. Soc. 110, 1657-1666.
23. Jorgensen, W. L., Maxwell, D. S. & Tirado-Rives, J. (1996) J. Am. Chem. Soc. 118, 11225-11236.
24. Frisch, M. J., Trucks, G. W., Schlegel, H. B., Gill, P. M. W., Johnson, B. G., Robb, M. A., Cheeseman, J. R., Keith, T. A., Petersson, G. A., Montgomery, J. A., et al. (1995) Gaussian 94 (Revision D.3) (Gaussian, Pittsburgh).
25. Boys, S. F. & Bernardi, F. (1970) Mol. Phys. 19, 533-566.
26. Kim, K. S., Lee, J. Y., Lee, S. J., Ha, T.-K. & Kim, D. H. (1994) J. Am. Chem. Soc. 116, 7399-7400.
27. Pullman, A., Berthier, G. & Savinelli, R. (1998) J. Am. Chem. Soc. 120, 8553-8554.
28. Kumpf, R. A. & Dougherty, D. A. (1993) Science 261, 1708-1710.
29. Caldwell, J. W. & Kollman, P. A. (1995) J. Am. Chem. Soc. 117, 4177-4178.
30. Donini, O. & Weaver, D. F. (1998) J. Comput. Chem. 19, 1515-1525.
31. Mecozzi, S., West, A. P., Jr. & Dougherty, D. A. (1996) J. Am. Chem. Soc. 118, 2307-2308.
32. Mecozzi, S., West, A. P., Jr. & Dougherty, D. A. (1996) Proc. Natl. Acad. Sci. USA 93, 10566-10571.
33. Hobohm, U., Scharf, M., Schneider, R. & Sander, C. (1992) Protein Sci. 1, 409-417.
34. Hobohm, U. & Sander, C. (1994) Protein Sci. 3, 522-524.
35. Duffy, E. M., Kowalczyk, P. J. & Jorgensen, W. L. (1993) J. Am. Chem. Soc. 115, 9271-9275.
36. Kraulis, P. J. (1991) J. Appl. Crystallogr. 24, 946-950.
37. Merritt, E. A. & Bacon, D. J. (1997) Methods Enzymol. 277, 505-524.