| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1390659 | Carbohydrate Research | 2010 | 10 Pages |
Abstract
In this study, interactions of selected monosaccharides with the Pseudomonas aeruginosa Lectin II (PA-IIL) are analyzed in detail. An interesting feature of the PA-IIL binding is that the monosaccharide is interacting via two calcium ions and the binding is unusually strong for protein–saccharide interaction. We have used Molecular Mechanics Poisson–Boltzmann Surface Area (MM/PBSA) and normal mode analysis to calculate the free energy of binding. The impact of intramolecular hydrogen bond network for the lectin/monosaccharide interaction is also analyzed.
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Related Topics
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Authors
Navnit Kumar Mishra, Zdeněk Kříž, Michaela Wimmerová, Jaroslav Koča,