Binding of buried structural water increases the flexibility of proteins

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

Volumn 96, Issue 17, 1999, Pages 9613-9615

  Fischer, Stefan ^a,c   Verma, Chandra S ^b  

^a F HOFFMANN LA ROCHE LTD   (Switzerland)

^b UNIVERSITY OF YORK   (United Kingdom)

^c UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

Bovine pancreatic trypsin inhibitor; Free energy of binding; Gas phase hydration; Vibrational entropy

Indexed keywords

APROTININ; WATER;

ARTICLE; CATTLE; ENTROPY; HYDROGEN BOND; LIGAND BINDING; MOLECULAR INTERACTION; NONHUMAN; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN FOLDING;

ANIMALS; APROTININ; CATTLE; HYDROGEN BONDING; PROTEIN FOLDING; THERMODYNAMICS; WATER;

EID: 0033578333     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.96.17.9613     Document Type: Article

References (24)

1. Levitt, M. & Park, B. H. (1993) Structure (London) 1, 223-226.
2. Wuthrich, K. (1993) Cold Spring Harbor Symp. Quant. Biol. 58, 149-157.
3. Ernst, J. A., Clubb, R. T., Zhou, H. X., Gronenborn, A. M. & Clore, G. M. (1995) Science 267, 1813-1817.
4. Takano, K., Funahashi, J., Yamagata, Y., Fujii, S., & Yutani, K. (1997) J. Mol. Biol. 274, 132-142.
5. Denisov, V. P., Peters, J., Horlein, H. D. & Halle, B. (1996) Nat. Struct. Biol. 3, 505-509.
6. Denisov, V. P., Venu, K., Peters, J., Horlein, H. D. & Halle, B. (1997) J. Phys. Chem. B 101, 9380-9389.
7. Fischer, S., Verma, C. S. & Hubbard, R. E. (1998) J. Phys. Chem. B 102, 1797-1805.
8. Prevost, M. (1998) Folding Des. 3, 345-351.
9. Abseher, R., Schreiber, H. & Steinhaiser, O. (1996) Proteins Struct. Funct. Genet. 25, 366-378.
10. Woenckhaus, J., Hudgins, R. R. & Jarrold, M. F. (1997) J. Am. Chem. Soc. 119, 9586-9587.
11. Wlodawer, A., Walter, J., Huber, R. & Sjolin, L. (1984) J. Mol. Biol. 180, 301-329.
12. McQuarrie, D. A. (1976) Statistical Mechanics (Harper Row, New York).
13. Tidor, B. & Karplus, M. (1994) J. Mol. Biol. 238, 405-414.
14. Collings, B. A. & Douglas. D. J. (1996) J. Am. Chem. Soc. 118, 4488-4489.
15. Nesatiy, V., Chen, Y-L, Collings, B. A. & Douglas, D. J. (1998) Rapid Commun. Mass Spectrom. 12, 40-44.
16. Eisenberg, D. & Kauzmann, W. (1969) The Structure and Properties of Water (Oxford Univ. Press, London).
17. Dunitz, J. D. (1994) Science 264, 670.
18. Phelps, D. K., Rossky, P. J, & Post, C. B. (1998) J. Mol. Biol. 276, 331-337.
19. Ajay, W. & Murcko, M. A. (1995) J. Med. Chem. 38, 4953-4967.
20. Wilson, E. B., Jr., Decius, J. C. & Cross, P. C. (1980) Molecular Vibrations (Dover, New York).
21. Brooks, B. R., Janezic, D. & Karplus, M. (1995) J. Comput. Chem. 16, 1522-1542.
22. Brooks, B. R., Bruccoleri, R. E., Olafson, B. D., States, D. J., Swaminathan, S. & Karplus, M. (1983) J. Comput. Chem. 4, 187-217.
23. Neria, E., Fischer, S. & Karplus, M. (1996) J. Chem. Phys. 105, 1902-1921.
24. Jorgensen, W. L., Chandrasekhar, J., Madura, J. D., Impey, R. W. & Klein, M. L. (1983) J. Chem. Phys. 79, 926-935.