Mutagenesis and molecular dynamics suggest structural and functional roles for residues in the N-terminal portion of the cytochrome P450 2B1 I helix

Archives of Biochemistry and Biophysics

Volumn 423, Issue 2, 2004, Pages 266-276

  Scott, Emily E ^a   Liu, Hong ^b   He, You Qun ^a   Li, Weihua ^b   Halpert, James R ^a  

^a University of Texas Medical Branch School of Medicine   (United States)

^b SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

Author keywords

Cytochrome P450; Monooxygenase; Site directed mutagenesis; Steered molecular dynamics; Substrate access

Indexed keywords

7 ETHOXY 4 TRIFLUOROMETHYLCOUMARIN; ALANINE; BENZPHETAMINE; BENZYLOXYRESORUFIN; COUMARIN DERIVATIVE; CYTOCHROME P450 2B1; MUTANT PROTEIN; PHENYLALANINE; RESORUFIN DERIVATIVE; TESTOSTERONE; UNCLASSIFIED DRUG;

AMINO TERMINAL SEQUENCE; ARTICLE; CHEMICAL MUTAGENESIS; CONTROLLED STUDY; ENZYME BINDING; ENZYME METABOLISM; ENZYME STRUCTURE; ENZYME SUBSTRATE; ESCHERICHIA COLI; HYDROPHOBICITY; LIGAND BINDING; MOLECULAR DYNAMICS; NONHUMAN; PRIORITY JOURNAL; PROTEIN FOLDING; PROTEIN FUNCTION; PROTEIN INTERACTION; PROTEIN SYNTHESIS; SIMULATION;

AMINO ACID SUBSTITUTION; BENZPHETAMINE; COMPUTER SIMULATION; COUMARINS; CYTOCHROME P-450 CYP2B1; DNA PRIMERS; KINETICS; MODELS, MOLECULAR; MUTAGENESIS, SITE-DIRECTED; OXAZINES; PROTEIN BINDING; PROTEIN STRUCTURE, SECONDARY; RECOMBINANT PROTEINS; TESTOSTERONE;

ESCHERICHIA COLI;

EID: 1542267433     PISSN: 00039861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.abb.2003.12.035     Document Type: Article

References (40)

1. Williams P.A., Cosme J., Sridhar V., Johnson E.F., McRee D.E. Mol. Cell. 5:2000;121-131.
2. Guengerich F.P. Chem.-Biol. Interact. 106:1997;161-182.
3. Domanski T.L., Halpert J.R. Curr. Drug Metab. 2:2001;117-137.
4. Kent U.M., Jushchyshyn M.I., Hollenberg P.F. Curr. Drug Metab. 2:2001;215-243.
5. Li H., Poulos T.L. Nat. Struct. Biol. 4:1997;140-146.
6. Dunn A.R., Dmochowski I.J., Bilwes A.M., Gray H.B., Crane B.R. Proc. Natl. Acad. Sci. USA. 98:2001;12420-12425.
7. Lüdemann S.K., Lounnas V., Wade R.C. J. Mol. Biol. 303:2000;797-811.
8. Podust L.M., Poulos T.L., Waterman M.R. Proc. Natl. Acad. Sci. USA. 98:2001;3068-3073.
9. Scott E.E., He Y.Q., Halpert J.R. Chem. Res. Toxicol. 15:2002;1407-1413.
10. Scott E.E., Spatzenegger M., Halpert J.R. Arch. Biochem. Biophys. 395:2001;57-68.
11. Khan K.K., He Y., He Y.Q., Halpert J.R. Chem. Res. Toxicol. 16:2002;843-853.
12. Domanski T.L., He Y.Q., Scott E.E., Wang Q., Halpert J.R. Arch. Biochem. Biophys. 394:2001;21-28.
13. Prough R.A., Ziegler D.M. Arch. Biochem. Biophys. 80:1977;363-373.
14. Spatzenegger M., Wang Q., He Y.Q., Wester M.R., Johnson E.F., Halpert J.R. Mol. Pharmacol. 59:2001;475-485.
15. InsightII, Version 2000, Accelrys Molecular Simulations Inc., San Diego, CA (2000)
16. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, R.E. Stratmann, J.C. Vurant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuch, K. Raghavachari, J.B. Foresman, J. Cioslowshi, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Foz, T. Keith, M.A. AlLaham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian 98, Revision A.6 (1998) Gaussian, Inc., Pittsburgh, PA
17. Breneman C.M., Wiberg K.B. J. Comp. Chem. 11:1990;361-397.
18. D. Van der Spoel, A.R. van Buuren, E. Apol, P.J. Meulenhoff, D.P. Tieleman, A.L.T.M. Sijbers, B. Hess, K.A. Feenstra, E. Lindahl, R. van Drunen, H.J.C. Berendsen, Gromacs User Manual version 3.1, Groningen, The Netherlands, 2002
19. Lindahl E., Hess B., van der Spoel D., van Drunen R. J. Mol. Mod. 7:2001;306-317.
20. van Aalten D.M.F., Bywater R., Findlay J.B.C., Hendlich M., Hooft R.W.W., Vriend G. J. Comput. Aided Mol. Des. 10:1996;255-262.
21. Hess B., Bekker H., Berendsen H.J.C., Fraaije J.G.E.M. J. Comp. Chem. 18:1997;1463-1472.
22. Darden T., York D., Pedersen L. J. Chem. Phys. 98:1993;10089-10092.
23. Essmann U., Perera L., Verkowitz M.L., Darden T., Lee H., Pedersen L.G. J. Chem. Phys. 103:1995;8577-8592.
24. Berendsen H.J.C., Postma J.P.M., van Gunsteren W.F., DiNola A., Haak J.R. J. Chem. Phys. 81:1984;3684-3690.
25. Szklarz G.D., He Y.Q., Kedzie K.M., Halpert J.R., Burnett V.L. Arch. Biochem. Biophys. 327:1996;308-318.
26. Grubmüller H., Heymann B., Tavan P. Science. 271:1996;997-999.
27. Isralewitz B., Gao M., Schulten K. Curr. Opin. Struct. Biol. 11:2001;224-230.
28. Izrailev S., Stepaniants S., Balsera M., Oono Y., Schulten K. Biophys. J. 72:1997;1568-1581.
29. Tsao C.-C., Wester M.R., Ghanayem B., Coulter S.J., Chanas B., Johnson E.F., Goldstein J.A. Biochemistry. 40:2001;1937-1944.
30. Kumar S., Scott E.E., Liu H., Halpert J.R. J. Biol. Chem. 278:2003;17178-17184.
31. Poulos T.L., Finzel B.C., Howard A.J. J. Mol. Biol. 195:1987;687-700.
32. Hanna I.H., Kim M.S., Guengerich F.P. Arch. Biochem. Biophys. 393:2001;255-261.
33. Harlow G.R., Halpert J.R. Arch. Biochem. Biophys. 326:1996;85-92.
34. Ludemann S.K., Lounnas V., Wade R.C. J. Mol. Biol. 303:2000;813-830.
35. Harlow G.R., He Y.A., Halpert J.R. Biochim. Biophys. Acta. 1338:1996;259-266.
36. Jung F., Griffin K.J., Song W., Richardson T.H., Yang M., Johnson E.F. Biochemistry. 37:1998;16270-16279.
37. Wester M.R., Johnson E.F., Marques-Soares C., Dansette P., Mansuy D., Stout C.D. Biochemistry. 42:2003;6370-6379.
38. Wester M.R., Johnson E.F., Marques-Soares C., Dijols S., Dansette P.M., Mansuy D., Stout C.D. Biochemistry. 42:2003;9335-9345.
39. Podust L.M., Kim Y., Arase M., Neely B.A., Beck B.J., Bach H., Sherman D.H., Lamb D.C., Kelly S.L., Waterman M.R. J. Biol. Chem. 278:2003;12214-12221.
40. Scott E.E., He Y.A., Wester M.R., White M.A., Chin C.C., Halpert J.R., Johnson E.F., Stout C.D. Proc. Natl. Acad. Sci. USA. 11:2003;13196-13201.