Interactions between Hofmeister anions and the binding pocket of a protein

Journal of the American Chemical Society

Volumn 137, Issue 11, 2015, Pages 3859-3866

  Fox, Jerome M ^a   Kang, Kyungtae ^a   Sherman, Woody ^c   Héroux, Annie ^d   Sastry, G Madhavi ^c   Baghbanzadeh, Mostafa ^a   Lockett, Matthew R ^a,e   Whitesides, George M ^a,b  

^a HARVARD UNIVERSITY   (United States)

^b HARVARD UNIVERSITY   (United States)

^c SCHRÖDINGER INC   (United States)

^d BROOKHAVEN NATIONAL LABORATORY   (United States)

^e University of North Carolina at Chapel Hill   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CARBONIC ANHYDRASE; CRYSTALLOGRAPHY; FREE ENERGY; HYDRATION; HYDROPHOBICITY; MOLECULAR DYNAMICS; NEGATIVE IONS; PROTEINS; X RAY CRYSTALLOGRAPHY; ZINC;

ENERGETIC COSTS; FIRST HYDRATION SHELL; HUMAN CARBONIC ANHYDRASE II; HYDRATION STRUCTURE; ION PAIR FORMATION; ISOTHERMAL TITRATION CALORIMETRY; MOLECULAR DYNAMICS SIMULATIONS; STRUCTURE OF WATERS;

IONS;

ANION; BROMIDE; CARBONATE DEHYDRATASE II; HOFMEISTER ANION; IODIDE; LIGAND; UNCLASSIFIED DRUG; WATER; ZINC ION; COENZYME; PROTEIN BINDING; ZINC;

ANION PROTEIN INTERACTION; AQUEOUS SOLUTION; ARTICLE; BINDING AFFINITY; BINDING SITE; CRYSTAL STRUCTURE; DISSOCIATION CONSTANT; ENTHALPY; HYDRATION; HYDROPHOBICITY; ISOTHERMAL TITRATION CALORIMETRY; MOLECULAR DYNAMICS; PROTEIN INTERACTION; THERMODYNAMICS; WATER STRUCTURE; X RAY CRYSTALLOGRAPHY; CHEMICAL STRUCTURE; CHEMISTRY; COENZYME; HUMAN; METABOLISM; PROTEIN CONFORMATION; PROTEIN STABILITY;

ANIONS; BINDING SITES; CARBONIC ANHYDRASE II; COENZYMES; HUMANS; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STABILITY; THERMODYNAMICS; ZINC;

EID: 84925745494     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/jacs.5b00187     Document Type: Article

References (78)

1. Eveloff, J. L.; Warnock, D. G. Am. J. Physiol. 1987, 252, F1
2. Sterling, D.; Casey, J. R. Biochem. Cell Biol. 2002, 80, 483
3. Desai, S. A.; Bezrukov, S. M.; Zimmerberg, J. Nature 2000, 406, 1001
4. Hedrich, R.; Neher, E. Nature 1987, 329, 833
5. Takahashi, H.; Yamazaki, M.; Sasakura, N.; Watanabe, A.; Leustek, T.; Engler, J. A.; Engler, G.; Van Montagu, M.; Saito, K. Proc. Natl. Acad. Sci. U.S.A. 1997, 94, 11102
6. Clapham, D. E. Cell 2007, 131, 1047
7. Jasti, J.; Furukawa, H.; Gonzales, E. B.; Gouaux, E. Nature 2007, 449, 316
8. Catterall, W. A. Science 1988, 242, 50
9. Sanguinetti, M. C.; Tristani-Firouzi, M. Nature 2006, 440, 463
10. McLachlan, S. M.; Rapoport, B. Endocr. Rev. 2013, 13, 192
11. Hunter, T. Cell 1995, 80, 225
12. Tobias, D. J.; Hemminger, J. C. Science 2008, 319, 1197
13. Jungwirth, P.; Cremer, P. S. Nat. Chem. 2014, 6, 261
14. Vrbka, L.; Vondrásek, J.; Jagoda-Cwiklik, B.; Vácha, R.; Jungwirth, P. Proc. Natl. Acad. Sci. U.S.A. 2006, 103, 15440
15. Collins, K. D. Biophys. Chem. 2012, 167, 33
16. Nostro, P. Lo; Ninham, B. Chem. Rev. 2012, 112, 2286
17. Moreira, L. A.; Boström, M.; Ninham, B. W.; Biscaia, E. C.; Tavares, F. W. Colloids Surf. A: Physicochem. Eng. Asp. 2006, 282-283, 457
18. Collins, K. D. Biophys. Chem. 2006, 119, 271
19. Heyda, J.; Hrobárik, T.; Jungwirth, P. J. Phys. Chem. A 2009, 113, 1969
20. Vrbka, L.; Jungwirth, P.; Bauduin, P.; Touraud, D.; Kunz, W. J. Phys. Chem. B 2006, 110, 7036
21. Zhang, Y.; Furyk, S.; Bergbreiter, D. E.; Cremer, P. S. J. Am. Chem. Soc. 2005, 127, 14505
22. Chen, X.; Yang, T.; Kataoka, S.; Cremer, P. S. J. Am. Chem. Soc. 2007, 129, 12272
23. Kalra, A.; Tugcu, N.; Cramer, S. M.; Garde, S. J. Phys. Chem. B 2001, 105, 6380
24. Zhang, Y.; Cremer, P. S. Curr. Opin. Chem. Biol. 2006, 10, 658
25. Krishnamurthy, V. M.; Kaufman, G. K.; Urbach, A. R.; Gitlin, I.; Gudiksen, K. L.; Weibel, D. B.; Whitesides, G. M. Chem. Rev. 2008, 108, 946
26. Snyder, P. W.; Lockett, M. R.; Moustakas, D. T.; Whitesides, G. M. Eur. Phys. J. Spec. Top. 2014, 223, 853
27. Eriksson, A. E.; Kylsten, P. M.; Jones, T. A.; Liljas, A. Proteins 1988, 4, 283
28. Christianson, D. W.; Fierke, C. A. Acc. Chem. Res. 1996, 29, 331
29. Mazumdar, P. A.; Kumaran, D.; Swaminathan, S.; Das, A. K. Acta Crystallogr. Sect. F: Struct. Biol. Cryst. Commun. 2008, 64, 163
30. Jonsson, B. M.; Hakansson, K.; Liljas, A. FEBS Lett. 1993, 322, 186
31. Mangani, S.; Hakansson, K. Eur. J. Biochem. 1992, 210, 867
32. Kannan, K. K.; Ramanadham, M.; Jones, T. A. Ann. N.Y. Acad. Sci. 1984, 429, 49
33. Fisher, Z.; Boone, C. D.; Biswas, S. M.; Venkatakrishnan, B.; Aggarwal, M.; Tu, C.; Agbandje-Mckenna, M.; Silverman, D.; McKenna, R. Protein Eng. Des. Sel. 2012, 25, 347
34. Zhang, Y.; Cremer, P. S. Annu. Rev. Phys. Chem. 2010, 61, 63
35. Collins, K. D. Proc. Natl. Acad. Sci. U.S.A. 1995, 92, 5553
36. Marcus, Y. Ion Properties; Marcel Dekker: New York, 1997.
37. Jungwirth, P.; Winter, B. Annu. Rev. Phys. Chem. 2008, 59, 343
38. Collins, K. D. Biophys. J. 1997, 72, 65
39. Hess, B.; van der Vegt, N. F. A. Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 13296
40. Collins, K. D. Methods 2004, 34, 300
41. Uejio, J. S.; Schwartz, C. P.; Duffin, A. M.; Drisdell, W. S.; Cohen, R. C.; Saykally, R. J. Proc. Natl. Acad. Sci. U.S.A. 2008, 105, 6809
42. Ries-Kautt, M.; Ducruix, A. Methods Enzymol. 1997, 276, 23
43. Kherb, J.; Flores, S. C.; Cremer, P. S. J. Phys. Chem. B 2012, 116, 7389
44. Collins, K. D.; Neilson, G. W.; Enderby, J. E. Biophys. Chem. 2007, 128, 95
45. Zhang, Y. L.; Zhang, Z. Y. Anal. Biochem. 1998, 261, 139
46. Snyder, P. W.; Mecinovic, J.; Moustakas, D. T.; Thomas, S. W.; Harder, M.; Mack, E. T.; Lockett, M. R.; Heroux, A.; Sherman, W.; Whitesides, G. M. Proc. Natl. Acad. Sci. U.S.A. 2011, 108, 17889
47. Dunitz, J. D. Chem. Biol. 1995, 2, 709
48. Breiten, B.; Lockett, M. R.; Sherman, W.; Fujita, S.; Al-Sayah, M.; Lange, H.; Bowers, C. M.; Heroux, A.; Krilov, G.; Whitesides, G. M. J. Am. Chem. Soc. 2013, 135, 15579
49. Chodera, J. D.; Mobley, D. L. Annu. Rev. Biophys. 2013, 42, 121
50. Sjöblom, B.; Polentarutti, M.; Djinovic-Carugo, K. Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 10609
51. Lund, M.; Vácha, R.; Jongwirth, P. Langmuir 2008, 24, 3387
52. Lund, M.; Vrbka, L.; Jungwirth, P. J. Am. Chem. Soc. 2008, 130, 11582
53. Huang, D. M.; Cottin-Bizonne, C.; Ybert, C.; Bocquet, L. Phys. Rev. Lett. 2007, 98, 177801
54. Horinek, D.; Netz, R. R. Phys. Rev. Lett. 2007, 99, 226104
55. Gibb, C. L. D.; Gibb, B. C. J. Am. Chem. Soc. 2011, 133, 7344
56. Carnegie, R. S.; Gibb, C. L. D.; Gibb, B. C. Angew. Chem., Int. Ed. 2014, 53, 11498
57. Pegram, L. M.; Wendorff, T.; Erdmann, R.; Shkel, I.; Bellissimo, D.; Felitsky, D. J.; Record, M. T. Proc. Natl. Acad. Sci. U.S.A. 2010, 107, 7716
58. Dauter, Z.; Dauter, M.; de La Fortelle, E.; Bricogne, G.; Sheldrick, G. M. J. Mol. Biol. 1999, 289, 83
59. Dauter, Z.; Dauter, M.; Rajashankar, K. R. Acta Crystallogr. Sect. D: Biol. Crystallogr. 2000, 56, 232
60. Baker, N. A.; Sept, D.; Joseph, S.; Holst, M. J.; McCammon, J. A. Proc. Natl. Acad. Sci. U.S.A. 2001, 98, 10037
61. Pegram, L. M.; Record, M. T. J. Phys. Chem. B 2008, 112, 9428
62. Pegram, L. M.; Record, M. T. J. Phys. Chem. B 2007, 111, 5411
63. Young, T.; Abel, R.; Kim, B.; Berne, B. J.; Friesner, R. A. Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 808
64. Abel, R.; Young, T.; Farid, R.; Berne, B. J.; Friesner, R. A. J. Am. Chem. Soc. 2008, 130, 2817
65. Beuming, T.; Farid, R.; Sherman, W. Protein Sci. 2009, 18, 1609
66. Lazaridis, T. J. Phys. Chem. B 1998, 102, 3531
67. Lazaridis, T. J. Phys. Chem. B 1998, 102, 3542
68. Omta, A. W.; Kropman, M. F.; Woutersen, S.; Bakker, H. J. Science 2003, 301, 347
69. Wachter, W.; Kunz, W.; Buchner, R.; Hefter, G. J. Phys. Chem. A 2005, 109, 8675
70. Buchner, R.; Hefter, G. T.; May, P. M. J. Phys. Chem. A 1999, 103, 1
71. Boström, M.; Williams, D. R. M.; Ninham, B. W. Langmuir 2001, 17, 4475
72. Otten, D. E.; Shaffer, P. R.; Geissler, P. L.; Saykally, R. J. Proc. Natl. Acad. Sci. U.S.A. 2012, 109, 3190
73. Caleman, C.; Hub, J. S.; van Maaren, P. J.; van der Spoel, D. Proc. Natl. Acad. Sci. U.S.A. 2011, 108, 6838
74. Barratt, E.; Bingham, R. J.; Warner, D. J.; Laughton, C. A.; Phillips, S. E. V; Homans, S. W. J. Am. Chem. Soc. 2005, 127, 11827
75. Homans, S. W. Drug Discovery Today 2007, 12, 534
76. Bingham, R. J.; Findlay, J. B. C.; Hsieh, S.-Y.; Kalverda, A. P.; Kjellberg, A.; Perazzolo, C.; Phillips, S. E. V; Seshadri, K.; Trinh, C. H.; Turnbull, W. B.; Bodenhausen, G.; Homans, S. W. J. Am. Chem. Soc. 2004, 126, 1675
77. Li, L.; Li, C.; Zhang, Z.; Alexov, E. J. Chem. Theory Comput. 2013, 9, 2126
78. Dwyer, J. J.; Gittis, A. G.; Karp, D. A.; Lattman, E. E.; Spencer, D. S.; Stites, W. E.; García-Moreno, E. B. Biophys. J. 2000, 79, 1610