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Makshakova, O., Zykwinska, A., Cuenot, S., Colliec-Jouault, S. & Perez, S. (2022) Three-dimensional structures, dynamics and calcium-mediated interactions of the exopolysaccharide, Infernan, produced by the deep-sea hydrothermal bacterium Alteromonas infernus. Carbohydrate Polymers, 276 118732. 
Added by: Richard Baschera (2021-11-12 08:14:34)   Last edited by: Richard Baschera (2021-11-12 08:15:43)
Type de référence: Article
DOI: 10.1016/j.carbpol.2021.118732
Numéro d'identification (ISBN etc.): 0144-8617
Clé BibTeX: Makshakova2022
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Mots-clés: 3 dimensional structures, Calcium binding, Exopolysaccharides, Gel forming, Molecular dynamics, Quantum chemistry
Créateurs: Colliec-Jouault, Cuenot, Makshakova, Perez, Zykwinska
Collection: Carbohydrate Polymers
Consultations : 8/325
Indice de consultation : 5%
Indice de popularité : 1.25%
Liens URLs     https://www.scienc ... /S014486172101119X
The exopolysaccharide Infernan, from the bacterial strain GY785, has a complex repeating unit of nine monosaccharides established on a double-layer of sidechains. A cluster of uronic and sulfated monosaccharides confers to Infernan functional and biological activities. We characterized the 3-dimensional structures and dynamics along Molecular Dynamics trajectories and clustered the conformations in extended two-fold and five-fold helical structures. The electrostatic potential distribution over all the structures revealed negatively charged cavities explored for Ca2+ binding through quantum chemistry computation. The transposition of the model of Ca2+complexation indicates that the five-fold helices are the most favourable for interactions. The ribbon-like shape of two-fold helices brings neighbouring chains in proximity without steric clashes. The cavity chelating the Ca2+ of one chain is completed throughout the interaction of a sulfate group from the neighbouring chain. The resulting is a ‘junction zone’ based on unique chain-chain interactions governed by a heterotypic binding mode.
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