Molecular dynamics study of the conformational stability of esterase 2 from Alicyclobacillus acidocaldarius

International Journal of Biological Macromolecules

Volumn 49, Issue 5, 2011, Pages 1072-1077

  Pagano, Bruno ^a   Del Vecchio, Pompea ^b   Mattia, Carlo A ^a   Graziano, Giuseppe ^c  

^a UNIVERSITY OF SALERNO   (Italy)

^b UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^c UNIVERSITY OF SANNIO   (Italy)

Author keywords

Conformational stability; Cooperative and coupled domains; Molecular dynamics simulations; Thermophilic esterase

Indexed keywords

ALPHA HYDROLASE; BETA HYDROLASE; ESTERASE; ESTERASE II; HYDROLASE; UNCLASSIFIED DRUG; WATER;

ALICYCLOBACILLUS ACIDOCALDARIUS; ALPHA HELIX; ARTICLE; BETA SHEET; CIRCULAR DICHROISM; DIFFERENTIAL SCANNING CALORIMETRY; ENZYME CONFORMATION; ENZYME STABILITY; MOLECULAR DYNAMICS; NONHUMAN; PROTEIN DOMAIN; PROTEIN UNFOLDING; TEMPERATURE; THERMOSTABILITY;

ALICYCLOBACILLUS ACIDOCALDARIUS;

EID: 80054854062     PISSN: 01418130     EISSN: 18790003     Source Type: Journal    
DOI: 10.1016/j.ijbiomac.2011.09.002     Document Type: Article

References (30)

1. Manco G., Adinolfi E., Pisani F.M., Carratore V., Rossi M. Protein Pept. Lett. 1997, 4:375-382.
2. Manco G., Adinolfi E., Pisani F.M., Ottolina G., Carrea G., Manco G. Biochem. J. 1998, 332:203-212.
3. Hemilä H., Koivula T.T., Palva I. Biochim. Biophys. Acta 1994, 1210:249-253.
4. Manco G., Febbraio F., Adinolfi E., Rossi M. Protein Sci. 1999, 8:1789-1796.
5. Manco G., Mandrich L., Rossi M. J. Biol. Chem. 2001, 276:37482-37490.
6. Del Vecchio P., Graziano G., Granata V., Barone G., Mandrich L., Manco G., Rossi M. Biochemistry 2002, 41:1364-1371.
7. Del Vecchio P., Graziano G., Granata V., Barone G., Mandrich L., Manco G., Rossi M. Biochem. J. 2002, 367:857-863.
8. Mandrich L., Pezzullo M., Del Vecchio P., Barone G., Rossi M., Manco G. J. Mol. Biol. 2004, 335:357-369.
9. De Simone G., Galdiero S., Manco G., Lang D., Rossi M., Pedone C. J. Mol. Biol. 2000, 303:761-771.
10. De Simone G., Mandrich L., Menchise V., Giordano V., Febbraio F., Rossi M., Pedone C., Manco G. J. Biol. Chem. 2004, 279:6815-6823.
11. Mandrich L., Merone L., Pezzullo M., Cipolla L., Nicotra F., Rossi M., Manco G. J. Mol. Biol. 2005, 345:501-512.
12. Foglia F., Mandrich L., Pezzullo M., Graziano G., Barone G., Rossi M., Manco G., Del Vecchio P. Biophys. Chem. 2007, 127:113-122.
13. Dill K.A. Biochemistry 1985, 24:1501-1509.
14. Privalov P.L. Annu. Rev. Biophys. Biophys. Chem. 1989, 18:47-69.
15. Spassov V.Z., Karshikoff A.D., Ladenstein R. Protein Sci. 1995, 4:1516-1527.
16. Merabet A., Houlleberghs H., Maclagan K., Akanho E., Bui T.T., Pagano B., Drake A.F., Fraternali F., Nikolova P.V. Biochem. J. 2010, 427:225-236.
17. Autore F., Pagano B., Fornili A., Rittinger K., Fraternali F. Biophys. J. 2010, 99:3716-3725.
18. Hess B., Kutzner C., van Der Spoel D., Lindahl E. J. Chem. Theory Comput. 2008, 4:435-447.
19. Daura X., Mark A.E., van Gunsteren W.F. J. Comput. Chem. 1998, 19:535-547.
20. Berendsen H.J.C., Postma J.P.M., van Gunsteren W.F., Hermans J. Intermolecular Forces 1988, 331-342. D. Reidel, Dordrecht. B. Pullman (Ed.).
21. Berendsen H.J.C., Postma J.P.M., van Gunsteren W.F., Di Nola A., Haak J.R. J. Chem. Phys. 1984, 81:3684-3690.
22. Bussi G., Donadiao D., Parrinello M. J. Chem. Phys. 2007, 126:014101.
23. Essmann U., Perera L., Berkowitz M.L., Darden T., Lee H., Pedersen L.G. J. Chem. Phys. 1995, 103:8577-8593.
24. Hess B., Bekker H., Berendsen H.J.C., Fraaije J. J. Comput. Chem. 1997, 18:1463-1472.
25. Hayward S., Go N. Annu. Rev. Phys. Chem. 1995, 46:223-250.
26. Kabsch W., Sander C. Biopolymers 1983, 22:2577-2637.
27. Frishman D., Argos P. Proteins Struct. Funct. Genet. 1995, 23:566-579.
28. Koradi R., Billeter M., Wüthrich K. J. Mol. Graph. 1996, 14:51-55.
29. Humphrey W., Dalke A., Schulten K. J. Mol. Graph. 1996, 14:33-38.
30. Merlino A., Graziano G., Mazzarella L. Proteins Struct. Funct. Bioinformatics 2004, 57:692-701.