References
- Hofrichter , M. and Ullrich , R. 2006 . Heme-thiolate haloperoxidases: versatile biocatalysts with biotechnological and environmental significance . Appl. Microbiol. Biotechnol. , 71 : 276
- Colonna , S. , Gaggero , N. , Richelmi , C. and Pasta , P. 1999 . Recent biotechnological developments in the use of peroxidases . Trends Biotechnol. , 17 : 163
- van Rantwijk , F. and Sheldon , R.A. 2000 . Selective oxygen transfer catalysed by heme peroxidases: synthetic and mechanistic aspects . Curr. Opin. Biotechnol. , 11 : 554
- Ayala , M. , Tinoco , R. , Hernandez , V. , Bremauntz , P. and Vazquez-Duhalt , R. 1998 . Biocatalytic oxidation of fuel as an alternative to biodesulfurization . Fuel Process. Technol. , 57 : 101
- Shou , M. , Lin , Y. , Lu , P. , Tang , C. , Mei , Q. , Cui , D. , Tang , W. , Ngui , J.S. , Lin , C.C. , Singh , R. , Wong , B.K. , Yergey , J.A. , Lin , J.H. , Pearson , P.G. , Baillie , T.A. , Rodrigues , A.D. and Rushmore , T.H. 2001 . Enzyme kinetics of cytochrome P450-mediated reactions . Curr. Drug Metab. , 2 : 17
- Korzekwa , K.R. , Krishnamachary , N. , Shou , M. , Ogai , A. , Parise , R.A. , Rettie , A.E. , Gonzalez , F.J. and Tracy , T.S. 1998 . Evaluation of atypical cytochrome P450 kinetics with two-substrate models: evidence that multiple substrates can simultaneously bind to cytochrome P450 active sites . Biochemistry , 37 : 4137
- Dabrowski , M.J. , Schrag , M.L. , Wienkers , L.C. and Atkins , W.M. 2002 . Pyrene–pyrene complexes at the active site of cytochrome P450 3A4: evidence for a multiple substrate binding site . J. Am. Chem. Soc. , 124 : 11866
- Torres , E. and Aburto , J. 2005 . Chloroperoxidase-catalyzed oxidation of 4,6-dimethyldibenzothiophene as dimer complexes: evidence for kinetic cooperativity . Arch. Biochem. Biophys. , 437 : 224
- ISIS/Draw, MDL Information System, 14600 Catalina Street, San Leandro, CA 94677, USA. The program (editions of 2.5 and 2.3) is available at the MDL at http://www.mdli.com/
- WebLab Viewer, available at http://www.liv.ac.uk/ctichem/16weblab.html
- P.F. Flükiger. Development of the molecular graphics package MOLEKEL and its application to selected problems in organic and organometallic chemistry. Thèse No 2561, Département de chimie physique, Université de Genève, Genève, (1992).
- Frisch , M.J. , Trucks , G.W. , Schlegel , H.B. , Scuseria , G.E. , Robb , M.A. , Cheeseman , J.R. , Zakrzewski , V.G. , Montgomery , J.A. Jr. , Stratmann , R.E. , Burant , J.C. , Dapprich , S. , Millam , J.M. , Daniels , A.D. , Kudin , K.N. , Strain , M.C. , Farkas , O. , Tomasi , J. , Barone , V. , Cossi , M. , Cammi , R. , Mennucci , B. , Pomelli , C. , Adamo , C. , Clifford , S. , Ochterski , J. , Peterson , G.A. , Ayala , P.Y. , Cui , Q. , Morokuma , K. , Malick , D.K. , Rabuck , A.D. , Raghavachari , K. , Foresman , J.B. , Cioslowski , J. , Ortiz , J.V. , Baboul , A.G. , Stefanov , B.B. , Liu , G. , Liashenko , A. , Piskorz , P. , Komaromi , I. , Gomperts , R. , Martin , R.L. , Fox , D.J. , Keith , T. , Al-Laham , M.A. , Peng , C.Y. , Nanayakkara , A. , Challacombe , M. , Gill , P.M.W. , Johnson , B. , Chen , W. , Wong , M.W. , Andres , J.L. , Gonzalez , C. , Head-Gordon , M. , Replogle , E.S. and Pople , J.A. 1998 . Gaussian 98, Revision A.9 , Pittsburgh, PA : Gaussian, Inc. .
- Sundaramoorthy , M. , Terner , J. and Poulos , T.L. 1995 . The crystal structure of chloroperoxidase: a heme peroxidase–cytochrome P450 functional hybrid . Structure , 3 : 1367
- Morris , G.M. , Goodsell , D.S. , Halliday , R.S. , Huey , R. , Hart , W.E. , Belew , R.K. and Olson , A.J. 1998 . Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function . J. Comp. Chem. , 19 : 1639
- Goodford , P.J. 1985 . A computational procedure for determining energetically favorable binding sites on biologically important macromolecules . J. Med. Chem. , 28 : 849
- Laurie , A.T. and Jackson , R.M. 2005 . Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites . Bioinformatics , 21 : 1908
- Humphrey , W. , Dalke , A. and Schulten , K. 1996 . VMD: visual molecular dynamics . J. Mol. Graph. , 14 : 33
- Wishart , D.S. 2005 . Bioinformatics in drug development and assessment . Drug. Metab. Rev. , 37 : 279
- Szklarz , G.D. and Halpert , J.R. 1997 . Molecular modeling of cytochrome P450 3A4 . J. Comput. Aided Mol. Des. , 11 : 265
- Sundaramoorthy , M. , Terrier , J. and Poulos , T.L. 1998 . Stereochemistry of the chloroperoxidase active site: crystallographic and molecular-modeling studies . Chem. Biol. , 5 : 461
- Zachariasse , K.A. , Duveneck , G. and Busse , R. 1984 . Intramolecular excimer formation with 1,3-di(1-pyrenyl)propane. Decay parameters and influence of viscosity . J. Am. Chem. Soc. , 106 : 1045
- Tsuzuki , S. , Honda , K. , Uchimaru , T. , Mikami , M. and Tanabe , K. 2002 . Origin of attraction and directionality of the pi/pi interaction: model chemistry calculations of benzene dimer interaction . J. Am. Chem. Soc. , 124 : 104
- Tran , F. , Alameddine , B. , Jenny , T.A. and Wesolowski , T.A. 2004 . π-Stacking behavior of selected nitrogen-containing PAHs . J. Phys. Chem. A , 108 : 9155
- Wang , X. and Goff , H.M. 1997 . A nuclear paramagnetic relaxation study of the interaction of the cyclopentanedione substrate with chloroperoxidase . Biochim. Biophys. Acta , 1339 : 88
- Kuehnel , K. , Blankenfeldt , W. , Terner , J. and Schlichting , I. 2006 . Crystal structures of chloroperoxidase with its bound substrates and complexed with formate, acetate, and nitrate . J. Biol. Chem. , 281 : 23990
- Belletête , M. , Bédard , M. , Leclerc , M. and Durocher , G. 2004 . Ground and excited state properties of carbazole-based dyads: correlation with their respective absorption and fluorescence spectra . J. Mol. Struct. (Theochem.) , 679 : 9
- Vazquez-Duhalt , R. , Westlake , D.W. and Fedorak , P.M. 1994 . Lignin peroxidase oxidation of aromatic compounds in systems containing organic solvents . Appl. Environ. Microbiol. , 60 : 459
- Itoh , M. , Fuke , K. and Kobayashi , S. 1980 . Direct observation of intramolecular anthracene excimer in 1,3-dianthrylpropane . J. Chem. Phys. , 72 : 1417
- Cain , J. and Lim , E.C. 1992 . Intermolecular triplet excimers of aromatic molecules with permanent dipole moments: carbazole, dibensofuran, and dibenzothiophene . Phys. Chem. , 96 : 2935
- Lehrer , S.S. 1997 . Intramolecular pyrene excimer fluorescence: a probe of proximity and protein conformational change . Method Enzymol. , 278 : 286
- Snare , M.J. , Thistlethwaite , P.J. and Ghiggino , K.P. 1983 . Kinetic studies of intramolecular excimer formation in dipyrenylalkanes . J. Am. Chem. Soc. , 105 : 3328
- van Someren , M.K. , Kishi , K. , Lundell , T. and Gold , M.H. 1995 . The manganese binding site of manganese peroxidase: characterization of an Asp179Asn site-directed mutant protein . Biochemistry , 34 : 10620
- Bursey , E.H. and Poulos , T.L. 2000 . Two substrate binding sites in ascorbate peroxidase: the role of arginine 172 . Biochemistry , 39 : 7374
- Doyle , W.A. , Blodig , W. , Veitch , N.C. , Piontek , K. and Smith , A.T. 1998 . Two substrate interaction sites in lignin peroxidase revealed by site-directed mutagenesis . Biochemistry , 37 : 15097