Determination of φ and χ 1 angles in proteins from 13C- 13C three- bond J couplings measured by three-dimensional heteronuclear NMR. How planar is the peptide bond?

Journal of the American Chemical Society

Volumn 119, Issue 27, 1997, Pages 6360-6368

  Hu, Jin Shan ^a   Bax, Ad ^a  

^a NATIONAL INSTITUTE OF DIABETES AND DIGESTIVE AND KIDNEY DISEASES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALMODULIN; CARBON 13; NITROGEN 15; PEPTIDE; UBIQUITIN;

ARTICLE; CHEMICAL BOND; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; NUCLEAR MAGNETIC RESONANCE; PROTEIN STRUCTURE; THREE DIMENSIONAL IMAGING;

EID: 0030764469     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja970067v     Document Type: Article

References (46)

1. Karplus, M. J. Chem. Phys. 1959, 30, 11-15.
2. Bystrov, V. F. Prog. Nucl. Magn. Reson. Spectrosc. 1976, 10, 41-81.
3. Marshall, J. L. Carbon-Carbon and Carbon-Proton NMR Couplings: Applications to Organic Stereochemistry and Conformational Analysis; VCH: Deerfield Beach, FL, 1983.
4. Krivdin, L. B.; Della, E. W. Prog. Nucl. Magn. Reson. Spectrosc. 1991, 23, 301-610.
5. Schwalbe, H.; Rexroth, A.; Eggenberger, T.; Geppert, T.; Griesinger, C. J. Am. Chem. Soc. 1993, 115, 7878-7879.
6. Bax, A.; Max, D.; Zax, D. J. Am. Chem. Soc. 1992, 114, 6923-6925.
7. Bax, A.; Vuister, G. W.; Grzesiek, S.; Delaslio, F.; Wang, A. C.; Tschudin, R.; Zhu, G. Methods Enzymol. 1994, 239, 79-105.
8. Grzesiek, S.; Vuister, G. W.; Bax, A. J. Biomol. NMR 1993, 3, 487-493.
9. Hu, J.-S.; Bax, A. J. Am. Chem. Soc. 1996, 118, 8170-8171.
10. Vijay-Kumar, S.; Bugg, C. E.; Cook, W. J. J. Mol. Biol. 1987, 194, 531-544.
11. Tjandra, N.; Kuboniwa, H.; Ren, H.; Bax, A. Eur. J. Biochem. 1995, 230, 1014-1024.
12. Wang, A. C.; Bax, A. J. Am. Chem. Soc. 1996, 118, 2483-2494. All rmsd values reported in this paper erroneously correspond to the mean absolute difference and therefore are between 10 and 20% smaller than the true rmsd values; this error does not have any noticeable effect on any of the reported Karplus parameters or other conclusions.
13. Brünger, A. T. X-PLOR Version 3.1: A System for X-ray Crystallography and NMR; Yale University Press: New Haven, CT, 1992.
14. Head-Gordon, T., Head-Gordon, M., Frisch, M. J., Brooks, C. L., III; Pople, J. A. J. Am. Chem. Soc. 1991, 113, 5989-5997.
15. Edison, A. S., Weinhold, F., Westler, W .M., Markley, J. L. J. Biomol. NMR 1994, 4, 543-551.
16. Sulzbach, H. M.; Schleyer, P. v. R.; Schaefer, H. F., III. J. Am. Chem. Soc. 1995, 117, 2632-2637.
17. Zhu, G.; Bax, A. J. Magn. Reson. 1992, 100, 202-207.
18. Bax, A.; Ikura, M. J. Biomol. NMR 1991, 1, 99-104.
19. Delaglio, F.; Grzesiek, S.; Vuister, G. W.; Zhu, G.; Pfeifer, J.; Bax, A. J. Biomol. NMR 1995, 6, 277-293.
20. Garrett, D. S.; Powers, R.; Gronenborn, A. M.; Clore, G. M. J. Magn. Reson. 1991, 95, 214-220.
21. Di Stefano, D. L; Wand, A. J. Biochemistry 1987, 26, 7272-7281.
22. Weber, P. L.; Brown, S. C.; Mueller, L. Biochemistry 1987, 26, 7282-7290.
23. Wang, A. C.; Grzesiek, S.; Tschudin, R.; Lodi, P. J.; Bax, A. J. Biomol. NMR 1995, 5, 376-382.
24. Wand, A. J.; Urbauer, J. L.; McEvoy, R. P.; Bieber, R. J. Biochemistry 1996, 35, 6116-6125.
25. Grzesiek, S.; Bax, A. J. Magn. Reson. 1992, 96, 432-440.
26. Cavanagh, J.; Fairbrother, W.; Palmer, A. G., III; Skelton, N. J. Protein NMR Spectroscopy; Academic Press: San Diego, CA, 1996; pp 491-494.
27. Vuister, G. W.; Yamazaki, T.; Torchia, D. A.; Bax, A. J. Biomol. NMR 1993, 3, 297-306.
28. Vuister, G. W., Bax, A. J. Am. Chem. Soc. 1993, 115, 7772-7777. Kuboniwa, H., Grzesiek, S., Delaglio, F., Bax, A. J. Biomol. MMR 1994, 4, 871-878.
29. Vuister, G. W., Bax, A. J. Am. Chem. Soc. 1993, 115, 7772-7777. Kuboniwa, H., Grzesiek, S., Delaglio, F., Bax, A. J. Biomol. MMR 1994, 4, 871-878.
30. Dayie, K. T.; Wagner, G. J. Magn. Reson. 1995, 109, 105-108.
31. Schneider, D. M., Dellwo, M. J. and Wand, A. J. Biochemistry 1992, 31, 3645-3652. Tjandra, N.; Feller, S. E.; Pastor, R. W.; Bax, A. J. Am. Chem. Soc. 1995, 117, 12562-12566.
32. Schneider, D. M., Dellwo, M. J. and Wand, A. J. Biochemistry 1992, 31, 3645-3652. Tjandra, N.; Feller, S. E.; Pastor, R. W.; Bax, A. J. Am. Chem. Soc. 1995, 117, 12562-12566.
33. Hu, J.-S.; Grzesiek, S.; Bax, A. J. Am. Chem. Soc., 1997, 119, 1803-1804.
34. Zhang, M., Tanaka, T., Ikura, M. Nat. Struct. Biol. 1995, 2, 758-767; Kuboniwa, H.; Tjandra, N.; Grzesiek, S.; Ren, H.; Klee, C. B.; Bax, A. Nat. Struct. Biol. 1995, 2, 768-776.
35. Zhang, M., Tanaka, T., Ikura, M. Nat. Struct. Biol. 1995, 2, 758-767; Kuboniwa, H.; Tjandra, N.; Grzesiek, S.; Ren, H.; Klee, C. B.; Bax, A. Nat. Struct. Biol. 1995, 2, 768-776.
36. Kao, L.-F.; Barfield, M. J. Am. Chem. Soc. 1985, 107, 2323-2330.
37. Wasylishen, R. E.; Schaefer, T. Can. J. Chem. 1973, 51, 1906-1909.
38. Fukui, H. Nucl. Magn. Reson. Spec. Periodic Rep. 1994, 24, 133-161; Parella, T.; Sanchez-Ferrando, F.; Virgili, A. Magn. Reson. Chem. 1997, 35, 30-34.
39. Fukui, H. Nucl. Magn. Reson. Spec. Periodic Rep. 1994, 24, 133-161; Parella, T.; Sanchez-Ferrando, F.; Virgili, A. Magn. Reson. Chem. 1997, 35, 30-34.
40. Edison, A. S.; Markley, J. L.; Weinhold, F. J. Phys. Chem. 1993, 97, 11657-11665.
41. Scheiner, S., Kern, C. W. J. Am. Chem. Soc. 1977, 99, 7042-7050.
42. MacArthur, M. W., Thornton, J. M. J. Mol. Biol. 1996, 264, 1180-1195.
43. Tjandra, N.; Grzesiek, S.; Bax, A. J. Am. Chem. Soc. 1996, 118, 6264-6272.
44. Karplus, P. A. Protein Sci. 1996, 5, 1406-1420.
45. Barfield, M.; Walter, S. R. J. Am. Chem. Soc. 1983, 105, 4191-4195.
46. Taylor, J. R. An Introduction to Error Analysis. The Study of Uncertainties in Physical Measurements; University Science Books: Mill Valley, CA, 1982.