Dynamic effects on J-couplings across hydrogen bonds in proteins

Journal of the American Chemical Society

Volumn 125, Issue 3, 2003, Pages 644-645

  Markwick, Phineus R L ^a   Sprangers, Remco ^a   Sattler, Michael ^a  

^a EUROPEAN MOLECULAR BIOLOGY LABORATORY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; CHEMICAL ANALYSIS; CORRELATION ANALYSIS; ENTROPY; GEOMETRY; HYDROGEN BOND; MAGNETISM; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; PHYSICAL CHEMISTRY; PROTEIN CONFORMATION; PROTEIN TRANSPORT;

COMPUTER SIMULATION; CYCLIC AMP RESPONSE ELEMENT-BINDING PROTEIN; HYDROGEN BONDING; NERVE TISSUE PROTEINS; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTEIN STRUCTURE, TERTIARY; RNA-BINDING PROTEINS; THERMODYNAMICS;

EID: 0037460133     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja028875w     Document Type: Article

References (26)

1. Jeffrey, G. A.; Saenger, W. Hydrogen Bonding in Biological Structures; Springer: New York, 1991.
2. Dingley, A. J.; Grzesiek, S. J. Am. Chem. Soc. 1998, 120, 8293-8297.
3. (a) Pervushin, K.; Ono, A.; Fernandez, C.; Szyperski, T.; Kainosho, M.; Wüthrich, K. Proc. Natl. Acad. Sci. U.S.A. 1998, 95, 14147-14151.
4. (b) Cordier, F.; Grzesiek, S. J. Am. Chem. Soc. 1999, 121, 1601-1602.
5. (c) Cornilescu, G.; Hu, J.-S.; Bax, A. J. Am. Chem. Soc. 1999, 121, 2949-2950.
6. (d) Cornilescu, G.; Ramirez, B. E.; Frank, M. K.; Clore, G. M.; Gronenborn, A. M.; Bax, A. J. Am. Chem. Soc. 1999, 121, 6275-6279.
7. (e) Juranić, N.; Macura, S. J. Am. Chem. Soc. 2001, 123, 4099-4100.
8. (a) Scheuer, C.; Brüschweiler, R. J. Am. Chem. Soc. 1999, 121, 8661-8662.
9. (b) Bagno, A. Chem. Eur. J. 2000, 6, 2925-2930.
10. (c) Czernek, J.; Büschweiler, R. J. Am. Chem. Soc. 2001, 123, 11079-11080.
11. (d) Barfield, M. J. Am. Chem. Soc. 2002, 124, 4158-4168.
12. (a) Carmichael, I. J. Phys. Chem. 1993, 97, 1789-1792.
13. (b) Malkin, V. G.; Malkina, O. L.; Salahub, D. R. Chem Phys. Lett. 1994, 221, 91-99.
14. (c) Hricovini, M.; Malkina, O. L.; Bizik, F.; Nagy, L. T.; Malkin, V. G. J. Phys. Chem. A 1997, 101, 9756-9762.
15. (a) Bürgi, R.; Pitera, J.; van Gunsteren, W. F. J. Biomol. NMR 2001, 19, 305-320 and references therein.
16. (b) Case, D. A.; Scheurer, C.; Brüschweiler, R. J. Am. Chem. Soc. 2000, 122, 10390-10397.
17. (c) Hoch, J. C.; Dobson, C. M.; Karplus, M. Biochemistry 1985, 24, 3831-3841.
18. Daura, X.; Antes, I.; van Gunsteren, W. F. Thiel, W.; Mark, A. Proteins 1999, 36, 542-555.
19. (a) Selenko, P.; Sprangers, R.; Stier, G.; Bühler, D.; Fischer, U.; Sattler, M. Nat. Struct. Biol. 2001, 8, 27-31.
20. (b) Sprangers, R.; Groves, M.; Sinning, I.; Sattler, M. Manuscript submitted.
21. Case, D. A.; Pearlman, D. A.; Caldwell, T. W.; Cheatham, T. E., III; Ross, W. S.; Simmerling, C. L.; Darden, T. A.; Marz, K. M.; Stanton, R. V.; Cheng, A. L.; Vincent, J. J.; Crowley, M.; Tsui, V.; Radmer, R. J.; Duan, Y.; Pitera, J.; Massova, I.; Seibel, G. L.; Singh, U. C.; Weiner, P. K.; Kollman, P. A. AMBER 6; University of California: San Fransisco, 1999.
22. Tsui, V.; Case, D. A. J. Am. Chem. Soc. 2000, 122, 2489-2498.
23. Pople, J. A.; McIver, J. W., Jr.; Ostlund, N. S. J. Chem. Phys. 1968, 49, 2960-2964 and 2965-2970.
24. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pornelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Salvador, P.; Dannenberg, J. J.; Malick, D. K.; Rabuck, A. D.; Raghavachari, Foresman, J. B.; Cioslowski, J., Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. GAUSSIAN 98, rev. A. 11; Gaussian Inc.: Pittsburgh, PA, 2001.
25. Buck, M.; Karplus, M. J. Phys. Chem. B. 2001, 105, 11000-11015.
26. Schafer, H.; Duara, X.; Mark, A. E.; van Gunsteren, W. F. Proteins 2001, 43, 45-56.