Molecular dynamics simulation studies on Ca2+-induced conformational changes of annexin I

Protein Engineering, Design and Selection

Volumn 21, Issue 2, 2008, Pages 115-120

  Shesham, Rohini D ^a   Bartolotti, Libero J ^a   Li, Yumin ^a  

^a EAST CAROLINA UNIVERSITY   (United States)

Author keywords

Annexin I; Calcium binding; Conformational changes; MD simulation membrane aggregation

Indexed keywords

CALCIUM; COMPUTER SIMULATION; CONFORMATIONS; ELECTRON MICROSCOPY; MOLECULAR DYNAMICS; POSITIVE IONS; X RAYS;

ANNEXIN; CALCIUM BINDING; MEMBRANE AGGREGATION;

PROTEINS;

CALCIUM ION; LIPOCORTIN 1;

AMINO TERMINAL SEQUENCE; ARTICLE; CALCIUM BINDING; CRYSTALLIZATION; ELECTRICITY; MEMBRANE; MEMBRANE POTENTIAL; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PRIORITY JOURNAL; PROTEIN AGGREGATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN DOMAIN; PROTEIN STRUCTURE; SIMULATION; X RAY ANALYSIS;

ANNEXIN A1; CALCIUM; COMPUTER SIMULATION; MODELS, MOLECULAR; PROTEIN STRUCTURE, TERTIARY; THERMODYNAMICS;

EID: 39749102883     PISSN: 17410126     EISSN: 17410134     Source Type: Journal    
DOI: 10.1093/protein/gzm094     Document Type: Article

References (24)

1. Bitto,E. and Cho,W. (1999) Biochemistry, 38, 14094-14100.
2. Case,D.A. (2005) J. Comp. Chem., 26, 1668-1688.
3. Cregut,D., Drin,G., Liautard,J.P. and Chiche,L. (1998) Protein Eng., 11, 891-900.
4. Crowley,M.F., Darden,T.A., Cheatham,T.E., III and Deerfield,D.W., II (1997) J. Supercomput., 11, 255-278.
5. Darden,T., York,D. and Pedersen,L. (1993) J. Chem. Phys., 98, 10089-10092.
6. de la Fuenta,M. and Ossa,C.G. (1997) Biophys. J., 71, 383-387.
7. de la Fuenta,M. and Parra,V. (1995) Biochemistry, 34, 10393-10399.
8. Essmann,U., Perera,L., Berkowitz,M.L., Darden,T., Lee,H. and Pedersen,L.G. (1995) J. Chem. Phys., 103, 8577-8593.
9. Gerke,V. and Moss,S.E. (2002) Physiol. Rev., 82, 331-371.
10. Hong,Y.H., Won,H.-S., Ahn,H.-C. and Lee,J. (2003) J. Biochem., 134, 427-432.
11. Jorgensen,W.L., Chandrasekhar,J., Madura,J.D., Impey,R.W. and Klein,M.L. (1983) J. Chem. Phys., 79, 926-935.
12. Lambert,O., Gerke,V., Bader,M.-F., Porte,F. and Brisson,A. (1997) J. Mol. Biol., 272, 42-55.
13. Meers,P., Mealy,T., Pavlotsky,N. and Tauber,A.I. (1992) Biochemistry, 31, 6372-6382.
14. Meers,P., Mealy,T. and Tauber,A.I. (1993) Biochim. Biophys. Acta, 1147, 177-184.
15. Rosengarth,A. and Luecke,H. (2003) J. Mol. Biol., 326, 1317-1325.
16. Rosengarth,A., Gerke,V. and Luecke,H. (2001) J. Mol. Biol., 306, 489-498.
17. Ryckaert,J.-P., Ciccotti,G. and Berendsen,H.J.C. (1977) J. Comput. Phys., 23, 327-341.
18. Sagui,C. and Darden,T.A. (1999) In Pratt,L.R. and Hummer,G. (eds), Simulation and Theory of Electrostatic Interactions in Solution. American Institute of Physics, Melville, NY, pp. 104-113..
19. Seemann,J., Weber,K. and Gerke,V. (1996) Biochem. J., 319, 123-129.
20. Sopkova-De Oliveira Santos,J., Fisher,S., Guilbert,C., Lewit-Bentley,A. and Smith,J.C. (2000) Biochemistry, 39, 14065-14074.
21. Sopkova-De Oliveira Santos,J., Vincent,M., Tabaries,S., Chevalier,A., Kerboeuf,D., Russo-Marie,F., Lewit-Bentley,A. and Gallay,J. (2001) FEBS Lett., 493, 122-128.
22. Toukmaji,A., Sagui,C., Board,J. and Darden,T. (2000) J. Chem. Phys., 113, 10913-10927.
23. Wang,W. and Creutz,C.E. (1992) Biochemistry, 31, 9934-9939.
24. Wang,W. and Creutz,C.E. (1994) Biochemistry, 33, 275-282.