Mechanism of product release in NO detoxification from Mycobacterium tuberculosis truncated hemoglobin N

Journal of the American Chemical Society

Volumn 130, Issue 5, 2008, Pages 1688-1693

  Martí, Marcelo A ^a   Bidon Chanal, Axel ^b   Crespo, Alejandro ^a   Yeh, Syun Ru ^c   Guallar, Victor ^d   Luque, F Javier ^b   Estrin, Darío A ^a  

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

^b UNIVERSITY OF BARCELONA   (Spain)

^c ALBERT EINSTEIN COLLEGE OF MEDICINE   (United States)

^d INSTITUCIÓ CATALANA DE RECERCA I ESTUDIS AVANÇATS ICREA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EGGRESSION PATHWAY; HEME CAVITY; MYCOBACTERIUM TUBERCULOSIS;

DETOXIFICATION; HEMOGLOBIN; HYDRATION; NITRIC OXIDE; QUANTUM CHEMISTRY;

BACTERIA;

HEME; HEMOGLOBIN; HEMOGLOBIN N; NITRIC OXIDE; NITRITE; OXYGEN; UNCLASSIFIED DRUG;

ARTICLE; BACTERIAL GROWTH; HYDRATION; LATENT PERIOD; MACROPHAGE; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; QUANTUM CHEMISTRY; QUANTUM MECHANICS; REACTION ANALYSIS; SIMULATION; STRESS;

ANIONS; BINDING SITES; COMPUTER SIMULATION; HEMOGLOBINS, ABNORMAL; LIGANDS; MODELS, MOLECULAR; MYCOBACTERIUM TUBERCULOSIS; NITRATES; NITRIC OXIDE; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; WATER;

EID: 38949211777     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja076853+     Document Type: Article

References (26)

1. Bloom, B. R. Tuberculosis: Pathogenesis, Protection and Control; ASM Press: Washington, DC, 1994.
2. MacMicking, J. D.; North, R. J.; LaCourse, R.; Mudgett, J. S.; Shah, S. K.; Nathan, C. F. Proc. Natl. Acad. Sci. U.S.A. 1997, 94, 5243.
3. Shiloh, M. U.; Nathan, C. F. Curr. Opin. Microbiol. 2000, 3, 35.
4. Couture, M.; Yeh, S. R.; Wittenberg, B. A.; Wittenberg, J. B.; Ouellet, Y.; Rousseau, D. L.; Guertin, M. Proc. Natl. Acad. Sci. U.S.A. 1999, 96, 11223.
5. Ouellet, H.; Ouellet, Y.; Richard, C.; Labarre, M.; Wittenberg, B.; Wittenberg, J.; Guertin, M. Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 5902.
6. Pathania, R.; Navani, N. K.; Gardner, A. M.; Gardner, P. R.; Dikshit, K. L. Mol. Microbiol. 2002, 45, 1303.
7. Moens, L.; Vanfleteren, J.; van de Peer, Y.; Peeters, K.; Kapp, O.; Czeluzniak, J.; Goodman, M.; Blaxter, M.; Vinogradov, S. Mol. Biol. Evol. 1996, 13, 324.
8. Pesce, A.; Couture, M.; Dewilde, S.; Guertin, M.; Yamauchi, K.; Ascenzi, P.; Moens, L.; Bolognesi, M. EMBO J. 2000, 19, 2424.
9. Milani, M.; Pesce, A.; Nardini, M.; Ouellet, H.; Ouellet, Y.; Dewilde, S.; Bocedi, A.; Ascenzi, P.; Guertin, M.; Moens, L.; Friedman, J. M.; Wittenberg, J. B.; Bolognesi, M. J. Inorg. Biochem. 2005, 99, 97.
10. Milani, M.; Pesce, A.; Ouellet, Y.; Ascenzi, P.; Guertin, M.; Bolognesi, M. EMBO J. 2001, 20, 3902.
11. Milani, M.; Pesce, A.; Ouellet, Y.; Dewilde, S.; Friedman, J. M.; Ascenzi, P.; Guertin, M.; Bolognesi, M. J. Biol. Chem. 2004, 279, 21520.
12. Crespo, A.; Martí, M. A.; Kalko, S. G.; Morreale, A.; Orozco, M.; Gelpí, J. L.; Luque, F. J.; Estrin, D. A. J. Am. Chem. Soc. 2005, 127, 4433.
13. Bidon-Chanal, A.; Martí, M. A.; Crespo, A.; Milani, M.; Orozco, M.; Bolognesi, M.; Luque, F. J.; Estrin, D. A. Proteins 2006, 64, 457.
14. Bidon-Chanal, A.; Martí, M. A.; Estrin, D. A.; Luque, F. J. J. Am. Chem. Soc. 2007, 129, 6782.
15. Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. J. Chem. Phys. 1983, 79, 926.
16. Pearlman, D. A.; Case, D. A.; Caldwell, J. W.; Ross, W. R.; Cheatham, T. E., III; DeBolt, S.; Ferguson, D.; Seibel, G.; Kollman, P. Comp. Phys. Commun. 1995, 91, 1.
17. Jarzynski, C. Phys. Rev. Lett. 1997, 78, 2690.
18. Qsite, 4.0; Schrodinger, LLC: New York, 2005.
19. (a) Becke, A. D. Phys. Rev. A 1988, 38, 3098.
20. (b) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
21. Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 270.
22. Kaminski, G. A.; Friesner, R. A.; Tirado-Rives, J.; Jorgensen, W. L. J. Phys. Chem. B 2001, 105, 6474.
23. Friesner, R. A.; Guallar, V. Annu. Rev. Phys. Chem. 2005, 56, 389.
24. Jaguar, 6.5; Schrodinger, LLC: New York, 2005.
25. Kleywegt, G. J.; Jones, T. A. Acta Crystallogr. 1994, D50, 1178.
26. Borrelli, K. W.; Vitalis, A.; Alcantara, R.; Guallar, V. J. Chem. Theory Comput. 2005, 1, 1304.