A dynamic perspective on the molecular recognition of chitooligosaccharide ligands by hevein domains

Carbohydrate Research

Volumn 340, Issue 5, 2005, Pages 1039-1049

  Colombo, Giorgio ^a   Meli, Massimiliano ^a   Cañada, Javier ^b   Asensio, Juan Luis ^b   Jimenez Barbero, Jesus ^b  

^a CNR   (Italy)

^b CENTRO DE INVESTIGACIONES BIOLÓGICAS   (Spain)

Author keywords

Chitooligosaccharides; Hevein; Lectins; Molecular dynamics; Protein carbohydrate interactions

Indexed keywords

BINDING ENERGY; CARBOHYDRATES; COMPLEXATION; CONFORMATIONS; ENTHALPY; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE; OLIGOMERS; STATISTICAL METHODS; SURFACES;

ENTROPIC EFFECTS; HEVEIN; OLIGOSACCHARIDE COMPLEXES; PENTASACCHARIDES;

POLYSACCHARIDES;

CHITIN; CHITOSE OLIGOSACCHARIDE; DISACCHARIDE; OLIGOMER; OLIGOSACCHARIDE; PENTASACCHARIDE; RECEPTOR; TRISACCHARIDE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; CONFORMATION; ENTHALPY; ENTROPY; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR RECOGNITION; MOTION; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; SIMULATION;

ANTIMICROBIAL CATIONIC PEPTIDES; CARBOHYDRATE CONFORMATION; CHITIN; COMPUTER SIMULATION; LIGANDS; MODELS, MOLECULAR; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; OLIGOSACCHARIDES; PLANT LECTINS; PROTEIN STRUCTURE, TERTIARY; SOFTWARE;

EID: 15044338545     PISSN: 00086215     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carres.2005.01.044     Document Type: Article

References (21)

1. R.U. Lemieux Chem. Soc. Rev. 18 1989 347 374
2. L. Lasky Science 258 1992 964 969
3. R.A. Dwek Chem. Rev. 96 1996 683 720
4. M.R. Wormald, A.J. Petrescu, Y.-L. Pao, A. Glithero, T. Elliott, and R.A. Dwek Chem. Rew. 102 2002 371 386
5. J. Lescar, R. Loris, E. Mitchell, C. Gautier, V. Cox, L. Wyns, S. Perez, C. Breton, and A. Imberty J. Biol. Chem. 277 2001 6608 6614
6. J.L. Asensio, H.C. Siebert, C. von Der Lieth, J. Laynez, M. Bruix, U.M. Soedjanaamadja, J.J. Beintema, F.J. Canada, H. Gabius, and J. Jimenez-Barbero Proteins 40 2000 218 236
7. J.L. Asensio, F. Canada, H.C. Siebert, J. Laynez, A. Poveda, J. Beintema, H.J. Gabius, and J. Jimenez-Barbero Chem. Biol. 7 2000 529 543
8. G. Colombo, M. Meli, J. Canada, J.L. Asensio, and J. Jimenez-Barbero Carbohydr. Res. 339 2004 985 994
9. J.L. Asensio, F.J. Canada, M. Bruix, A. Rodriguez-Romero, and J. Jimenez-Barbero Eur. J. Biochem. 230 1995 621 633
10. J.L. Asensio, F.J. Canada, M. Bruix, A. Rodriguez-Romero, and J. Jimenez-Barbero Glycobiology 8 1998 569 577
11. A. Amadei, A.B.M. Linssen, and H.J.C. Berendsen Proteins: Struct., Funct., Gen. 17 1993 412 425
12. X. Daura, K. Gademann, B. Jaun, D. Seebach, W.F. van Gunsteren, and A.E. Mark Angew. Chem. Int., Ed. 38 1999 236 240
13. S.V. Vasudevan, and P.V. Balaji J. Phys. Chem. B 105 2001 7033 7041
14. W.R.P. Scott, P.H. Hunenberger, I.G. Tironi, A.E. Mark, S.R. Billeter, J. Fennen, A.E. Torda, T. Huber, P. Kruger, and W.F. van Gunsteren J. Phys. Chem. A 103 1999 3596 3607
15. W.F. van Gunsteren, X. Daura, and A.E. Mark Encyclopedia Comput. Chem. 2 1998 1211 1216
16. H.J.C. Berendsen, J.R. Grigera, and T.P. Straatsma J. Phys. Chem. 91 1987 6269 6271
17. B. Hess, H. Bekker, J.G.E.M. Fraaije, and H.J.C. Berendsen J. Comp. Chem. 18 1997 1463 1472
18. S. Miyamoto, and P.A. Kollman J. Comp. Chem. 13 1992 952 962
19. H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, A.D. Nola, and J.R. Haak J. Chem. Phys. 81 1984 3684
20. van der Spoel, D.; van Drunen, R.; Berendsen, H. J. C. In GRoningen MAchine for Chemical Simulations; van der Spoel, D.; van Drunen, R.; Berendsen, H. J. C., Eds.; Department of Biophysical Chemistry, BIOSON Research Institute: Nijenborgh 4 NL-9717 AG Groningen, 1994
21. X. Daura, W.F. van Gunsteren, and A.E. Mark Proteins 34 1999 269 280