Ca2+ selectivity of the sarcoplasmic reticulum Ca 2+-ATPase at the enzyme-water interface and in the Ca2+ entrance channel

Journal of Physical Chemistry B

Volumn 111, Issue 42, 2007, Pages 12282-12293

  Xiang, Feng ^a   Cukier, Robert I ^b   Bu, Yuxiang ^a,b  

^a SHANDONG UNIVERSITY   (China)

^b MICHIGAN STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADENOSINETRIPHOSPHATE; AMINO ACIDS; MEMBRANES; OXYGEN; POSITIVE IONS; WATER;

ENTRANCE CHANNEL; SARCOPLASMIC RETICULUM (SR); SIDE-CHAIN CARBOXYL OXYGEN ATOMS;

CALCIUM COMPOUNDS;

CALCIUM; CALCIUM CHANNEL; DIVALENT CATION; INDOLE; INDOLE DERIVATIVE; LIGAND; MAGNESIUM; SARCOPLASMIC RETICULUM CALCIUM TRANSPORTING ADENOSINE TRIPHOSPHATASE; TRYPTOPHAN; WATER;

ANIMAL; ARTICLE; BINDING SITE; CHEMISTRY; COMPARATIVE STUDY; METABOLISM; PHYSIOLOGY; PROTEIN BINDING; PROTEIN TERTIARY STRUCTURE; RABBIT; SURFACE PROPERTY; THERMODYNAMICS;

ANIMALS; BINDING SITES; CALCIUM; CALCIUM CHANNELS; CATIONS, DIVALENT; INDOLES; LIGANDS; MAGNESIUM; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; RABBITS; SARCOPLASMIC RETICULUM CALCIUM-TRANSPORTING ATPASES; SURFACE PROPERTIES; THERMODYNAMICS; TRYPTOPHAN; WATER;

EID: 35748957816     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp073883q     Document Type: Article

References (50)

1. Glynn, I. M. J. Physiol. 1993, 462, 1.
2. Drake, S. K.; Lee, K. L.; Falke, J. J. Biochemistry 1996, 35, 6697.
3. Yau, W. M.; Wimley, W. C.; Gawrisch, K.; White, S. H. Biochemistry 1998, 37, 14713.
4. Lee, A. G.; East, J. M. Biochem. J. 2001, 356, 665.
5. Toyoshima, C.; Nakasako, M.; Nomura, H.; Ogawa, H. Nature 2000, 405, 647.
6. Frontera, A.; Quiñonero, D.; Garau, C.; Costa, A.; Ballester, P.; Deyà, P. M. J. Phys. Chem. A 2006, 110, 9307.
7. (a) Felder, C.; Jiang, H.; Zhu, W.; Chen, K.; Silman, I.; Botti, S. A.; Sussman, J. L. J. Phys. Chem. A 2001, 105, 1326.
8. (b) Liu, T.; Zhu, W.; Gu, J.; Shen, J.; Luo, X.; Chen, G.; Puah, C. M.; Silman, I.; Chen, K.; Sussman, J. L.; Jiang, H. J. Phys. Chem. A 2004, 108, 9400.
9. (c) Tan. X.; Zhu, W.; Cui, M.; Luo, X.; Gu, J.; Silman, I.; Sussman, J. L.; Jiang, H.; Ji, R.; Chen, K. Chem. Phys. Lett. 2001, 349, 113.
10. (a) Dudev, T.; Lim, C. Acc. Chem. Res. 2007, 40, 85.
11. (b) Dudev, T.; Lim, C. J. Am. Chem. Soc. 2006, 128, 10541.
12. Jensen, F. J. Am. Chem. Soc. 1992, 114, 9533.
13. (a) Hoyau, S.; Ohanessian, G. Chem. Eur. J. 1998, 4, 1561.
14. (b) Hoyau, S.; Ohanessian, G. J. Am. Chem. Soc. 1997, 119, 2016.
15. Wyttenbach, T.; Witt, M.; Bowers, M. T. Int. J. Mass Spectrom. 2001, 243, 182.
16. Pulkkinen, S.; Noguera, M.; Rodríguez-Santiago, L.; Sodupe, M.; Bertran, J. Chem. Eur. J. 2000, 6, 4393.
17. Bertran, J.; Rodriguez-Santiago, L.; Sodupe, M. J. Phys. Chem. B 1999, 101, 2310.
18. Ma, J. C.; Dougherty, D. Chem. Rev. 1997, 97, 1303.
19. Ryahov, V.; Dunbar, R. C. J. Am. Chem. Soc. 1999, 121, 2259.
20. Jernigan, R.; Raghunathan, G.; Bahar, I. Curr. Opin. Struct. Biol. 1994, 4, 256.
21. Gouaux, E.; MacKinnon, R. Science 2005, 310, 1461.
22. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Kiene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision B.05; Gaussian, Inc.: Wallingford, CT, 2004.
23. (a) Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
24. (b) Becke, A. D. Phys. Rev. 1988, A38, 3098.
25. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. 1988, B37, 785.
26. c(LYP), which is not precisely the formulation proposed by A. D. Becke in his paper.
27. Frisch, M. J.; Del Bene, J. E.; Binkley, J. S.; Schaefer, H. F., III. J. Chem. Phys. 1986, 84, 2279.
28. (a) Glendening, E. D.; Reed, A. E.; Carpenter, J. E.; Weinhold, F. NBO Version 3.1.
29. (b) Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem. Rev. 1988, 88, 899.
30. Breneman, C. M.; Wiberg, K. B. J. Comput. Chem. 1990, 11, 361.
31. CRC Handbook of Chemistry and Physics, 82nd ed.; Lide, D. R., Ed.; CRC Press: Cleveland, 2001-2002.
32. Marcus, Y. Chem. Rev. 1988, 88, 1475.
33. Alabugin, I. V.; Manoharan, M.; Peabody, S.; Weinhold, F. J. Am. Chem. Soc. 2003, 125, 5973.
34. de Vos, A. M.; Ultshc, M.; Kossiakoff, A. A. Science 1992, 255, 306.
35. Pflugrath, J. W.; Wigand, G.; Huber, R.; Vertesy, L. J. Mol Biol. 1986, 189, 383.
36. Rardin, R. L.; Tolmann, W. B.; Lippard, S. J. New J. Chem. 1991, 15, 417.
37. Rodriguez-Cruz, S. E.; Jockusch, R. A.; Williams, E. R. J. Am. Chem. Soc. 1999, 121, 1986.
38. Bezanilla, F.; Armstrong, C. M. J. Gen. Physiol. 1972, 60, 588.
39. Katz, A. K.; Glusker, J. P.; Beebe, S. A.; Bock, C. W. J. Am. Chem. Soc. 1996, 118, 5752.
40. (a) Falke, J. J.; Drake, S. K.; Hazard, A. L.; Peersen, O. B. Q. Rev. Biophys. 1994, 27, 219.
41. (b) Drake, S. K.; Zimmer, M. A.; Kundrot, C.; Falke, J. J. J. Gen. Physiol. 1997, 110, 173.
42. (c) Drake, S. K.; Zimmer, M. A.; Miller, C. L.; Falke, J. J. Biochemistry 1997, 36, 9917.
43. Normer, W.; Catacuzzeno, L.; Eisenberg, B. Biophys. J. 2000, 79, 1976.
44. Boda, D.; Busath, D.; Henderson, D.; Sokolowski, S. J. Phys. Chem. B 2000, 104, 8903.
45. (a) Corry, B.; Allen, T. W.; Kuyucak, S.; Chung, S. H. Biochim. Bhphys. Acta 2000, 1509, 1.
46. (b) Corry, B.; Allen, T. W.; Kuyucak, S.; Chung, S. H. Biophys. J. 2001, 80, 195.
47. (c) Corry, B.; Vora, T.; Chung, S. H. Biochim. Biophys. Acta 2005, 1711, 72.
48. (d) Corry, B.; Chung, S. H. Cell. Mol Life Sci. 2006, 63, 301.
49. Dudev, M.; Wang, J.; Dudev, T.; Lim, C. J. Phys. Chem. B 2006, 110, 1889.
50. Dobler, M. Ionophores and Their Structures; Wiley: New York, 1981.