Importance of metal hydration on the selectivity of Mg2+ versus Ca2+ in magnesium ion channels

Journal of the American Chemical Society

Volumn 135, Issue 45, 2013, Pages 17200-17208

  Dudev, Todor ^a,c   Lim, Carmay ^a,b  

^a INSTITUTE OF BIOMEDICAL SCIENCES   (Taiwan)

^b NATIONAL TSING HUA UNIVERSITY   (Taiwan)

^c UNIVERSITY OF SOFIA   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

BACKGROUND CONCENTRATION; BOUND WATER MOLECULES; CHANNEL SELECTIVITY; CONTINUUM DIELECTRIC METHOD; HIGH BLOOD PRESSURES; PROTEIN INTERACTION; SELECTIVITY FILTER; SOLVENT ACCESSIBILITY;

BLOOD PRESSURE; CARBOXYLATION; HYDRATION; LIGANDS; METAL IONS; PROTEINS;

CALCIUM;

AMIDE; CALCIUM; CARBOXYLIC ACID; ION CHANNEL; LIGAND; MAGNESIUM ION; POTASSIUM ION; SODIUM ION; SOLVENT; WATER;

ARTICLE; DENSITY FUNCTIONAL THEORY; HYDRATION; METAL HYDRATION; MOLECULE; PROTEIN INTERACTION;

BACTERIAL PROTEINS; CALCIUM; HUMANS; ION CHANNELS; MAGNESIUM; METHANOCALDOCOCCUS; MODELS, MOLECULAR; THERMODYNAMICS; THERMOTOGA MARITIMA; WATER;

EID: 84887713727     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja4087769     Document Type: Article

References (61)

1. Maguire, M. E.; Cowan, J. A. Biometals 2002, 15, 203
2. Romani, A.; Scarpa, A. Arch. Biochem. Biophys. 1992, 298, 1
3. Scarpa, A.; Brinley, F. J. Fed. Proc. 1981, 40, 2646
4. Dalmas, O. Biophys. J. 2007, 93, 3729
5. Romani, A. M. P. Arch. Biochem. Biophys. 2011, 512, 1
6. Cowan, J. A. Biological Chemistry of Magnesium; VCH: New York, 1995.
7. Garcia-Vescovi, E.; Soncini, F. C.; Groisman, E. A. Cell 1996, 84, 165
8. Dudev, T.; Cowan, J. A.; Lim, C. J. Am. Chem. Soc. 1999, 121, 7665
9. Dudev, T.; Lim, C. J. Phys. Chem. A 1999, 103, 8093
10. Alexander, R. T.; Hoenderop, J. G.; Bindels, R. J. J. Am. Soc. Nephrol. 2008, 19, 1452
11. Maguire, M. E. Front. Biosci. 2006, 11, 3149
12. Moomaw, A. S.; Maguire, M. E. Physiology 2008, 23, 275
13. Voets, T.; Nilius, B.; van der Kemp, A. W.; Droogmans, G.; Bindels, R. J.; Hoenderop, J. G. J. Biol. Chem. 2004, 279, 19
14. Topala, C. N.; Groenestege, W. T.; Thebault, S.; van den Berg, D.; Nilius, B.; Hoenderop, J. G.; Bindels, R. J. Cell Calcium 2007, 41, 513
15. Lunin, V. V.; Dobrovetsky, E.; Khutoreskaya, G.; Zhang, R.; Joachimiak, A.; Doyle, D. A.; Bochkarev, A.; Maguire, M. E.; Edwards, A. M.; Koth, C. M. Nature 2006, 440, 833
16. Payandeh, J.; Pai, E. F. EMBO J. 2006, 25, 3762
17. Nordin, N.; Guskov, A.; Phua, T.; Sahaf, N.; Xia, Y.; Siyan, L.; Eshaghi, H.; Eshaghi, S. Biochem. J. 2013, 451, 365
18. Guskov, A.; Nordin, N.; Reynaud, A.; Engman, H.; Lundback, A.-K.; Kong, A. J. O.; Cornvik, T.; Phua, T.; Eshaghi, S. Proc. Natl. Acad. Sci. U.S.A. 2012, 109, 18459
19. Maguire, M. E. Curr. Opin. Struct. Biol. 2006, 16, 432
20. Moomaw, A. S.; Maguire, M. E. Biochemistry 2010, 49, 5998
21. Dudev, T.; Lim, C. J. Phys. Chem. B 2001, 105, 4446
22. Babu, C. S.; Dudev, T.; Casareno, R.; Cowan, J. A.; Lim, C. J. Am. Chem. Soc. 2003, 125, 9318
23. Dudev, T.; Lim, C. J. Phys. Chem. B 2004, 108, 4546
24. Dudev, T.; Chang, L.-Y.; Lim, C. J. Am. Chem. Soc. 2005, 127, 4091
25. Dudev, T.; Lim, C. J. Am. Chem. Soc. 2011, 133, 9506
26. Dudev, T.; Lim, C. J. Am. Chem. Soc. 2009, 131, 8092
27. Dudev, T.; Lim, C. J. Am. Chem. Soc. 2010, 132, 2321
28. Dudev, T.; Lim, C. Phys. Chem. Chem. Phys. 2012, 14, 12451
29. GaussView, version 3.09; Gaussian: Pittsburgh, PA, 2000-2003.
30. Dudev, T.; Lim, C. J. Phys. Chem. B 2012, 116, 10703
31. Marcus, Y. Chem. Rev. 1988, 88, 1475
32. Dudev, M.; Wang, J.; Dudev, T.; Lim, C. J. Phys. Chem. B 2006, 110, 1889
33. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; 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.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, O.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian 09; Gaussian, Inc.: Wallingford CT, 2009.
34. Wong, M. W. Chem. Phys. Lett. 1996, 256, 391
35. Gilson, M., K.; Honig, B., H. J. Comput. Chem. 1988, 9, 327
36. Lim, C.; Bashford, D.; Karplus, M. J. Phys. Chem. 1991, 95, 5610
37. Bashford, D. In Scientific Computing in Object-Oriented Parallel Environments; Ishikawa, Y.; Oldehoeft, R. R.; Reynders, V. W.; Tholburn, M., Eds.; Springer: Berlin, 1997; Vol. 1343, p 233.
38. Dudev, T.; Lim, C. J. Am. Chem. Soc. 2006, 128, 1553
39. Reed, A.; Weinstock, R.; Weinhold, F. J. Chem. Phys. 1985, 83, 735
40. Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; aStates, D. J.; Swaminathan, S.; Karplus, M. J. Comput. Chem. 1983, 4, 187
41. Dudev, T.; Lim, C. J. Am. Chem. Soc. 2009, 131, 8092
42. Ozutsumi, K.; Ishigiro, S. Bull. Chem. Soc. Jpn. 1992, 65, 1173
43. Smith, R. M.; Martell, A. E. Sci. Total Environ. 1987, 64, 125
44. Dudev, T.; Lim, C. Phys. Chem. Chem. Phys. 2012, 14, 12451
45. Luzhkov, V. B.; Aqvist, J. Biochim, Biophys. Acta 2001, 1548, 194
46. Noskov, S. Y.; Roux, B. J. Gen. Physiol. 2007, 129, 135
47. Sakharov, D.; Lim, C. J. Am. Chem. Soc. 2005, 127, 4923
48. Babu, C. S.; Lim, C. J. Phys. Chem. A 2006, 110, 691
49. Varma, S.; Rempe, S. B. Biophys. J. 2007, 93, 1093
50. Zhou, Y.; Morais-Cabral, J. H.; Kaufman, A.; MacKinnon, R. Nature 2001, 414, 43
51. Bostick, D. L.; Brooks, C. L., III Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 9260
52. Varma, S.; Sabo, D.; Rempe, S. B. J. Mol. Biol. 2008, 376, 13
53. Fowler, P. W.; Tai, K.; Sansom, M. S. P. Biophys. J. 2008, 95, 5062
54. Payandeh, J.; Scheuer, T.; Zheng, N.; Catterall, W. A. Nature 2011, 475, 353
55. Corry, B.; Thomas, M. J. Am. Chem. Soc. 2012, 134, 1840
56. McCleskey, E. W.; Almers, W. Proc. Natl. Acad. Sci. U.S.A. 1985, 82, 7149
57. Boda, D.; Valisko, M.; Henderson, D.; Eisenberg, B.; Gillespie, D.; Nonner, W. J. Gen. Physiol. 2009, 133, 497
58. Eisenberg, B. Biophys. Chem. 2003, 100, 507
59. Nonner, W.; Catacuzzeno, L.; Eisenberg, B. Biophys. J. 2000, 79, 1976
60. Eshaghi, S.; Niegowski, D.; Kohl, A.; Molina, D. M.; Lesley, S. A.; Nordlund, P. Science 2006, 313, 354
61. Pfoh, R.; Li, A.; Chakrabarti, N.; Payandeh, J.; Pomes, R.; Pai, E. F. Proc. Natl. Acad. Sci. U.S.A. 2012, 109, 18809