The mechanism of the reaction of intradiol dioxygenase with hydroperoxy probe: A DFT study

Catalysis Today

Volumn 169, Issue 1, 2011, Pages 207-216

  Wójcik, Anna ^a   Borowski, Tomasz ^a   Broclawik, Ewa ^a  

^a INSTITUTE OF CATALYSIS AND SURFACE CHEMISTRY   (Poland)

Author keywords

DFT; Dioxygenase; Extradiol; Intradiol; Iron; Non heme; Reaction mechanism

Indexed keywords

DFT; DIOXYGENASES; EXTRADIOL; INTRADIOL; NON-HEME; REACTION MECHANISM;

AMINO ACIDS; DENSITY FUNCTIONAL THEORY; IRON; IRON COMPOUNDS; LIGANDS; PORPHYRINS;

PROBES;

EID: 79958104029     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cattod.2010.08.028     Document Type: Article

References (20)

1. C.K. Brown, M.W. Vetting, C.A. Earhart, and D.H. Ohlendorf Annu. Rev. Microbiol. 58 2004 555 585
2. M. Costas, M.P. Mehn, M.P. Jensen, and L. Que Chem. Rev. 104 2004 939 986
3. O. Hayaishi, M. Katagiri, and S. Rothberg J. Am. Chem. Soc. 77 1955 5450 5451
4. M.W. Vetting, and D.H. Ohlendorf Structure 8 2000 429 440
5. D. Ohlendorf, A. Orville, and J. Lipscomb J. Mol. Biol. 244 1994 586 608
6. M.P. Valley, C.K. Brown, D.L. Burk, M.W. Vetting, D.H. Ohlendorf, and J.D. Lipscomb Biochemistry 44 2005 11024 11039
7. A. Orville, N. Elango, J. Lipscomb, and D. Ohlendorf Biochemistry 36 1997 10039 10051
8. C.A. Tyson J. Biol. Chem. 250 1975 1765 1770
9. G.P. Horsman, A. Jirasek, F.H. Vaillancourt, C.J. Barbosa, A.A. Jarzecki, C. Xu, Y. Mekmouche, T.G. Spiro, J.D. Lipscomb, M.W. Blades, R.F.B. Turner, and L.D. Eltis J. Am. Chem. Soc. 127 2005 16882 16891
10. T. Funabiki, and T.J. Yamazaki Mol. Catal. A 150 1999 37 47
11. T. Borowski, and P.E.M. Siegbahn J. Am. Chem. Soc. 128 2006 12941 12953
12. M. Xin, and T.D.H. Bugg J. Am. Chem. Soc. 130 2008 10422 10430
13. N. Nakatani, Y. Nakao, H. Sato, and S. Sakaki J. Phys. Chem. B 113 2009 4826 4836
14. V. Georgiev, H. Noack, T. Borowski, M.R. Blomberg, and P.E.M. Siegbahn J. Phys. Chem. B 114 2010 5878 5885
15. A.D. Becke J. Chem. Phys. 98 1993 5648 5652
16. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B37 1988 785 789
17. JAGUAR 7.6, Schrdinger, Inc., Portland, OR, 2009
18. Gaussian 09, Revision A.1, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, Ö. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox, Gaussian, Inc., Wallingford CT, 2009
19. D.J. Tannor, B. Marten, R. Murphy, R.A. Friesner, D. Sitkoff, A. Nicholls, M. Ringnalda, W.A. Goddard III, and B. Honig J. Am. Chem. Soc. 116 1994 11875 11882
20. B. Marten, K. Kim, C. Cortis, R.A. Friesner, R. Murphy, M. Ringnalda, D. Sitkoff, and B. Honig J. Phys. Chem. 100 1996 11775 11788