Origins of enhanced proton transport in the Y7F mutant of human carbonic anhydrase II

Journal of the American Chemical Society

Volumn 130, Issue 34, 2008, Pages 11399-11408

  Maupin, C Mark ^a   Saunders, Marissa G ^a   Thorpe, Ian F ^a   McKenna, Robert ^b   Silverman, David N ^b   Voth, Gregory A ^a  

^a UNIVERSITY OF UTAH   (United States)

^b UNIVERSITY OF FLORIDA COLLEGE OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HUMAN CARBONIC ANHYDRASE II; PROTON TRANSPORT;

AMINO ACID; BICARBONATE; CARBON DIOXIDE; CARBONATE DEHYDRATASE II; OXYGEN; PHENYLALANINE; TYROSINE; WATER;

ARTICLE; CATALYSIS; CHEMICAL REACTION KINETICS; COMPARATIVE STUDY; CORRELATION ANALYSIS; DEHYDRATION; ENZYME MECHANISM; HYDRATION; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MUTATION; PROTON TRANSPORT; SIMULATION; X RAY CRYSTALLOGRAPHY;

AMINO ACID SUBSTITUTION; BICARBONATES; BINDING SITES; CARBON DIOXIDE; CARBONIC ANHYDRASE III; CATALYSIS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; HUMANS; HYDROGEN BONDING; KINETICS; MODELS, MOLECULAR; PHENYLALANINE; PROTONS; SOLVENTS; TYROSINE; WATER; ZINC;

EID: 50249099321     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja802264j     Document Type: Article

References (54)

1. Fisher, S. Z.; Tu, C.; Bhatt, D.; Govindasamy, L.; Agbandje-McKenna, M.; McKenna, R.; Silverman, D. N. Biochemistry 2007, 46, 3803-3813.
2. Lindskog, S.; Behravan, G.; Engstrand, C.; Forsman, C.; Jonsson, B.; Liang, Z.; Ren, X.; Xue, Y. In Carbonic Anhydrase-From Biochemistry and Genetics to Physiology and Clinical Medicine; Botre, F., Gros, G., Storey, B. T., Eds.; VCH: Weinheim, Germany, 1991; pp 1-13.
3. Nair, S. K.; Christiansen, D. W. J. Am. Chem. Soc. 1991, 113, 9455-9458.
4. Christianson, D. W. Adv. Protein Chem. 1991, 42, 281-335.
5. Lesburg, C. A.; Christianson, D. W. J. Am. Chem. Soc. 1995, 117, 6838-6844.
6. Erikson, A. E.; Jones, A. T.; Liljas, A. Proteins 1988, 4, 274-282.
7. Liljas, A.; Kannan, K. K.; Bergsten, P. C.; Waara, I. Nature 1972, 235, 131-137.
8. Kannan, K. K.; Ramanadham, M.; Jones, T. A. Ann. N.Y. Acad. Sci. 1984, 429, 49-60.
9. Håkansson, K.; Carlsson, M.; Svensson, L. A.; Liljas, A. J. Mol. Biol. 1992, 227, 1192-1204.
10. Duda, D.; Tu, C.; Qian, M.; Laipis, P.; Agvandje-McKenna, A.; Silverman, D. N.; McKenna, R. Biochemistry 2001, 40, 1741-1748.
11. Duda, D.; Govindasamy, L.; Agbandje-McKenna, Tu, C.; Silverman, D. N.; McKenna, R. Acta. Crystallogr. Sect. D 2003, 59, 93-104.
12. Maupin, C. M.; Voth, G. A. Biochemistry 2007, 46, 2938-2947.
13. Fisher, Z.; Hernandez, Prada, J. A.; Tu, C.; Duda, D.; Yoshioka, C.; An, H.; Govindasamy, L.; Silverman, D. N.; McKenna, R. Biochemistry 2005, 44, 1097-1105.
14. Swanson, J. M. J.; Maupin, C. M.; Chen, H.; Petersen, M. K.; Xu, J.; Wu, Y.; Voth, G. A. J. Phys. Chem. B. 2007, 111, 4300-4314.
15. Roy, A.; Taraphder, S. J. Phys. Chem. B. 2007, 111, 10563-10576.
16. Silverman, D. N.; McKenna, R. Acc. Chem. Res. 2007, 40.
17. Marino, S.; Hayakawa, K.; Hatada, K.; Benfatto, M.; Rizzello, A.; Maffia, M.; Bubacco, L. Biophys. J. 2007, 93, 2781-2790.
18. Schimara, 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.
19. Silverman, D. N.; Lindskog, S. Acc. Chem. Res. 1988, 21, 30-36.
20. Davies, D. R. Annu. Rev. Biophys. Biophys. Chem. 1990, 19, 189-215.
21. Fersht, A. Enzyme Structure and Mechanism; W. H. Freeman and Sons: New York, 1985.
22. Grotthuss, C. J. T. d. Ann. Chim. (Paris) 1806, 58, 54.
23. Lapid, H.; Agmon, N.; Petersen, M. K.; Voth, G. A. J Chem. Phys. 2004, 122, 041506.
24. Voth, G. A. Acc. Chem. Res. 2006, 39, 143-150.
25. Maren, T. H. Physiol. Rev. 1967, 47, 595-781.
26. Tashian, R. E. BioEssays 1989, 10, 186-192.
27. Erikson, A. E.; Kylsten, P. M.; Jones, T. A.; Liljas, A. Proteins: Struct., Funct., Genet. 1988, 4, 283-293.
28. Lindskog, S.; Coleman, J. E. Proc. Natl. Acad. Sci. U.S.A. 1973, 70, 2505-2508.
29. Lindskog, S. In Zinc enzymes; Spiro, T. G., Ed.; John Wiley & Sons: New York, 1983; pp 78-121.
30. Silverman, D. N.; Vincent, S. H. CRC Crit. Rev. Biochem. 1983, 14, 207-255.
31. Tu, C.; Silverman, D. N.; Forsman, C.; Jonsson, B.-H.; Lindskog, S. Biochemistry 1989, 28, 7913-7918.
32. Qian, M.; Tu, C.; Earnhardt, N.; Laipis, P. J.; Silverman, D. N. Biochemistry 1997, 36, 15758-15764.
33. Toba, S.; Colombo, G.; Merz, K. M., Jr. J. Am. Chem. Soc. 1999, 121, 2290-2302.
34. Lu, D.; Voth, G. A. Proteins 1998, 33, 119-134.
35. Lu, D.; Voth, G. A. J. Am. Chem. Soc. 1998, 120, 4006-4014.
36. Cui, Q.; Karplus, K. J. Phys. Chem. B. 2003, 107, 1071-1078.
37. Riccardi, D.; Schaefer, P.; Yang, Y.; Yu, H.; Ghosh, N.; Prat-Resina, X.; Konig, P.; Li, G.; Xu, D.; Guo, H.; Elstner, M.; Cui, Q. J. Phys. Chem. B 2006, 110, 6458-6469.
38. König, P. H.; Ghosh, N.; Hoffmann, M.; Elstner, M.; Tajkhorshid, E.; Frauenheim, Th.; Cui, Q. J. Phys. Chem. A. 2006, 110, 548-563.
39. Riccardi, D.; Konig, P.; Prat-Resina, X.; Yu, H.; Elstner, M.; Frauehneim, T.; Cui, Q. J. Am. Chem. Soc. 2006, 128, 16302-16311.
40. Riccardi, D.; Konig, P.; Guo, H.; Cui, Q. Biochemistry 2007, 47, 2369-2378.
41. Fisher, S. Z.; Maupin, C. M.; Govindasamy, L.; Budayova-Spano, M.; Govindasamy, L.; Tu, C.; Agbandje-McKenna, M.; Silverman, D. N.; Voth, G. A.; McKenna, R. Biochemistry 2007, 46, 2930-2937.
42. Rod, T. H.; Radkiewicz, J. L.; Brooks, C. L. PNAS 2003, 100, 6980-6985.
43. Schaefer, P.; Riccardi, D.; Cui, Q. J. Chem. Phys. 2005, 123, 014905.
44. Guex, N.; Peitsch, M. C. Electrophoresis 1997, 18, 2714-2723.
45. Day, T. J.; Soudackov, A. V.; Cuma, M.; Schmitt, U. W.; Voth, G. A. J. Chem. Phys. 2002, 117, 5839-5849.
46. Wang, J.; Cieplak, P.; Kollman, P. A. J. Comput. Chem. 2000, 21, 1049-1074.
47. Kast, S. M.; Nicklas, K.; Bär, H. -J.; Brickmann, J. J. Chem. Phys. 1994, 100, 566-576.
48. Hummer, G.; Pratt, L. R.; Garcia, A. E. J. Phys. Chem. 1996, 100, 1206-1215.
49. Humphrey, W.; Dalke, A.; Schulten, K. J. Mol. Graphics 1996, 14, 33-38.
50. Reinhard, F.; Grubmüller, H. J. Chem. Phys. 2007, 126, 014102.
51. Case, D. A.; AMBER 8, 7th ed.; University of California: San Francisco, 2002.
52. Kumar, S.; Bouzida, D.; Swendsen, R. H.; Kollman, P. A.; Rosenberg, J. M. J. Comput. Chem. 1992, 13, 1011-1021.
53. Roux, B. Comput. Phys. Commun. 1995, 91, 275-282.
54. Allen, T. W.; Andersen, O. S.; Roux, B. Proc. Natl. Acad. Sci. U.S.A. 2004, 101, 117-122.