| Autor: |
Vliegenthart, J.F.G., Siebert, H.-C, Gilleron, M., Kaltner, H., Lieth, C.-W. von der, Kozár, T., Bovin, N., Korchagina, E.Y. |
| Jazyk: |
angličtina |
| Rok vydání: |
1996 |
| Předmět: |
|
| Zdroj: |
Biochemical and biophysical research communications, 219(1), 205. Elsevier |
| ISSN: |
0006-291X |
| Popis: |
The binding of a carbohydrate to a lectin may affect the conformation of the ligand. To address this question for the galectin from chicken liver, the conformation of Gal@b1-R was analyzed in the free and in the galectin-bound state with 2D-ROESY- and 1D- as well as 2D-transferred NOE-experiments. A computer-assisted analysis of spatial parameters of the ligand by molecular dynamics (MD) and random walk molecular mechanics (RAMM) calculations, taking different dielectric constants from @e =1 to @e = 80 and various force fields into account, were instrumental to define the energetic minima of the free state. NMR-derived interresidual distance constraints enabled a conformational mapping. The two overlapping interresidual distance constraints obtained from transferred-NOE experiments of the galectin-ligand complex clearly support the notion that the conformation of the disaccharide in the bound state is at least very close to its global energy minimum state in solution. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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