Characterization of conformational exchange of a histidine side chain: Protonation, rotamerization, and tautomerization of His61 in plastocyanin from Anabaena variabilis

Journal of the American Chemical Society

Volumn 130, Issue 26, 2008, Pages 8460-8470

  Hass, Mathias A S ^a   Hansen, D Flemming ^b   Christensen, Hans E M ^c   Led, Jens J ^a   Kay, Lewis E ^b  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b UNIVERSITY OF TORONTO   (Canada)

^c TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SHIFT; COMPLEXATION; CRYSTAL STRUCTURE; DYNAMICS; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; VOLUMETRIC ANALYSIS;

CHEMICAL EXCHANGING; CHEMICAL-; CONFORMATIONAL EXCHANGE; CROSS-VALIDATIONS; EXCHANGE DYNAMICS; EXCHANGE PROCESSES; HIGH RESOLUTIONS; INTERCONVERSION; NMR CHEMICAL SHIFTS; PLASTOCYANIN; PROTONATED; SHIFT CHANGES; SIDE CHAINS; SIDE-CHAIN DYNAMICS; SOLUTION NMR; STRUCTURAL INFORMATIONS; TAUTOMERIZATION; TIME SCALING;

POPULATION STATISTICS;

HISTIDINE; PLASTOCYANIN;

ACCURACY; ANABAENA VARIABILIS; ARTICLE; CHEMICAL REACTION; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; MEASUREMENT; METHODOLOGY; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; PROTEIN FUNCTION; PROTEIN STRUCTURE; PROTON NUCLEAR MAGNETIC RESONANCE; PROTON TRANSPORT; STRUCTURE ANALYSIS;

ANABAENA VARIABILIS; HISTIDINE; MODELS, MOLECULAR; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PLASTOCYANIN; PROTEIN CONFORMATION;

EID: 46049096120     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja801330h     Document Type: Article

References (55)

1. Fersht, A. Structure and Mechanism in Protein Science: A Guide to Enzyme Catalysis and Protein Folding; W. H. Freeman and Company: New York, 1998.
2. Jensen, M. R.; Hass, M. A. S.; Hansen, D. F.; Led, J. J. Cell. Mol. Life Sci. 2007, 64, 1085-1104.
3. Puttick, J.; Baker, E. N.; Delbaere, L. T. J. Biochim. Biophys. Acta 2008, 1784, 100-105.
4. Dutta, R.; Qin, L.; Inouye, M. Mol. Microbiol. 1999, 34, 633-640.
5. Reynolds, W. F.; Peat, I. R.; Freedman, M. H.; Lyerla, J. R. J. Am. Chem. Soc. 1973, 95, 328-331.
6. Wüthrich, K. NMR of Proteins and Nucleic Acids; John Wiley & Sons: New York, 1986.
7. Barnard, E. A. Annu. Rev. Biochem. 1969, 38, 677-732.
8. Raines, R. T. Chem. Rev. 1998, 98, 1045-1065.
9. Day, S. M.; Westfall, M. V.; Fomicheva, E. V.; Hoyer, K.; Yasuda, S.; La Cross, N. C.; D'Alecy, L. G.; Ingwall, J. S.; Metzger, J. M. Nat. Med. 2006, 12, 181-189.
10. Mandel, M. J. Biol. Chem. 1965, 240, 1586-1592.
11. Day, R. M.; Thalhauser, C. J.; Sudmeier, J. L.; Vincent, M. P.; Torchilin, E. V.; Sanford, D. G.; Bachovchin, C. W.; Bachovchin, W. W. Protein Sci. 2003, 12, 794-810.
12. Pelton, J. G.; Torchia, D. A.; Meadow, N. D.; Roseman, S. Protein Sci. 1993, 2, 543-558.
13. Perez-Canadillas, J. M.; Garcia-Mayoral, M. F.; Laurents, D. V.; del Pozo, A. M.; Gavilanes, J. G.; Rico, M.; Bruix, M. FEBS Lett. 2003, 534, 197-201.
14. Shimahara, H.; Yoshida, T.; Shibata, Y.; Shimizu, M.; Kyogoku, Y.; Sakiyama, F.; Nakazawa, T.; Tate, S.; Ohki, S.; Kato, T.; Moriyama, H.; Kishida, K.; Tano, Y.; Ohkubo, T.; Kobayashi, Y. J. Biol. Chem. 2007, 282, 9646-9656.
15. Palmer, A. G.; Kroenke, C. D.; Loria, J. P. In Nuclear Magnetic Resonance of Biological Macromolecules; Academic Press: San Diego, CA, 2001; Vol. 339, pp 204-238.
16. Palmer, A. G. Chem. Rev. 2004, 104, 3623-3640.
17. Sudmeier, J. L.; Evelhoch, J. L.; Jonsson, N. B. H. J. Magn. Reson. 1980, 40, 377-390.
18. Kovrigin, E. L.; Loria, J. P. Biochemistry 2006, 45, 2636-2647.
19. Hass, M. A. S.; Thuesen, M. H.; Christensen, H. E. M.; Led, J. J. J. Am. Chem. Soc. 2004, 126, 753-765.
20. Hope, A. B. Biochim. Biophys. Acta 2000, 1456, 5-26.
21. Schmidt, L.; Christensen, H. E. M.; Harris, P. Acta Crystallogr. 2006, D62, 1022-1029.
22. Malmendal, A.; Evenas, J.; Forsen, S.; Akke, M. J. Mol. Biol. 1999, 293, 883-899.
23. Eisenmesser, E. Z.; Bosco, D. A.; Akke, M.; Kern, D. Science 2002, 295, 1520-1523.
24. Grey, M. J.; Wang, C. Y.; Palmer, A. G. J. Am. Chem. Soc. 2003, 125, 14324-14335.
25. Korzhnev, D. M.; Salvatella, X.; Vendruscolo, M.; Di Nardo, A. A.; Davidson, A. R.; Dobson, C. M.; Kay, L. E. Nature 2004, 430, 586-590.
26. Sugase, K.; Dyson, H. J.; Wright, P. E. Nature 2007, 447, 1021-1025.
27. Tolkatchev, D.; Xu, P.; Ni, F. J. Am. Chem. Soc. 2003, 125, 12432-12442.
28. Hass, M. A. S.; Christensen, H. E. M.; Zhang, J.; Led, J. J. Biochemistry 2007, 46, 14619-14628.
29. Lommen, A.; Canters, G. W. J. Biol. Chem. 1990, 265, 2768-2774.
30. Millet, O.; Mittermaier, A.; Baker, D.; Kay, L. E. J. Mol. Biol. 2003, 329, 551-563.
31. Gelin, B. R.; Karplus, M. Proc. Natl. Acad. Sci. U.S.A. 1975, 72, 2002-2006.
32. Henzler-Wildman, K.; Kern, D. Nature 2007, 450, 964-972.
33. Best, R. B.; Clarke, J.; Karplus, M. J. Mol. Biol. 2005, 349, 185-203.
34. Lovell, S. C.; Word, J. M.; Richardson, J. S.; Richardson, D. C. Proteins: Struct., Funct., Genet. 2000, 40, 389-408.
35. Gelin, B. R.; Karplus, M. J. Am. Chem. Soc. 1975, 97, 6996-7006.
36. Xue, Y.; Pavlova, M. S.; Ryabov, Y. E.; Reif, B.; Skrynnikov, N. R. J. Am. Chem. Soc. 2007, 129, 6827-6838.
37. Eigen, M. Angew. Chem., Int. Ed. Engl. 1964, 3, 1-19.
38. Khalifah, R. G. Proc. Natl. Acad. Sci. U.S.A. 1973, 70, 1986-1989.
39. Lindskog, S.; Coleman, J. E. Proc. Natl. Acad. Sci. U.S.A. 1973, 70, 2505-2508.
40. Skrynnikov, N. R., Dahlquist, F. W., Kay, L. E. J. Am. Chem. Soc. 2002, 124, 12352-12360.
41. Handbook of Chemistry and Physics, 74th ed.; CRC press: Boca Raton, FL, 1993.
42. Hass, M. A. S.; Jensen, M. R.; Led, J. J. Proteins: Struct., Funct., Bioinf. 2008, 72, 333-343.
43. Press, W. H.; Flannery, B. P.; Teukolsky, S. A.; Vetterling, W. T. Numerical Recipies in C; Cambridge University Press: Cambridge, U.K., 1988.
44. Eigen, M.; Hammes, G. G. Adv. Enzymol. Relat. Subj. Biochem. 1963, 25, 1-38.
45. Fisher, S. Z.; Maupin, C. M.; Budayova-Spano, M.; Govindasamy, L.; Tu, C.; Agbandje-McKenna, M.; Silverman, D. N.; Voth, G. A.; McKenna, R. Biochemistry 2007, 46, 2930-2937.
46. Fisher, Z.; Prada, J. A. H.; Tu, C.; Duda, D.; Yoshioka, C.; An, H. Q.; Govindasamy, L.; Silverman, D. N.; McKenna, R. Biochemistry 2005, 44, 1097-1105.
47. Maupin, C. M.; Voth, G. A. Biochemistry 2007, 46, 2938-2947.
48. Haddad, K. C.; Sudmeier, J. L.; Bachovchin, D. A.; Bachovchin, W. W. Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 1006-1011.
49. Meadows, D. H.; Markley, J. L.; Cohen, J. S.; Jardetzky, O. Proc. Natl. Acad. Sci. U.S.A. 1967, 58, 1307-1313.
50. Ishima, R.; Torchia, D. A. J. Biomol. NMR 2003, 25, 243-248.
51. Geen, H.; Freeman, R. J. Magn. Reson. 1991, 93, 93-141.
52. Tollinger, M.; Skrynnikov, N. R.; Mulder, F. A. A.; Forman-Kay, J. D.; Kay, L. E. J. Am. Chem. Soc. 2001, 123, 11341-11352.
53. Loria, J. P.; Rance, M.; Palmer, A. G. J. Am. Chem. Soc. 1999, 121, 2331-2332.
54. Delaglio, F.; Grzesiek, S.; Vuister, G. W.; Zhu, G.; Pfeifer, J.; Bax, A. J. Biomol. NMR 1995, 6, 277-293.
55. Mulder, F. A. A.; Skrynnikov, N. R.; Hon, B.; Dahlquist, F. W.; Kay, L. E. J. Am. Chem. Soc. 2001, 123, 967-975.