FN Archimer Export Format
PT J
TI Three-dimensional structures, dynamics and calcium-mediated interactions of the exopolysaccharide, Infernan, produced by the deep-sea hydrothermal bacterium Alteromonas infernus
BT 
AF Makshakova, Olga
   Zykwinska, Agata
   Cuenot, Stéphane
   Colliec-Jouault, Sylvia
   Perez, Serge
AS 1:1;2:2;3:3;4:2;5:4;
FF 1:;2:PDG-RBE-BRM-LEMMMB;3:;4:PDG-RBE-BRM-LEMMMB;5:;
C1 Kazan Institute of Biochemistry and Biophysics, FRC Kazan Scientific Center of RAS, Lobachevsky Str., 2/31, 420111 Kazan, Russian Federation
   Ifremer, Laboratoire Ecosystèmes Microbiens et Molécules Marines pour les Biotechnologies, 44311 Nantes, France
   Université de Nantes, CNRS, Institut des Matériaux Jean Rouxel, IMN, Nantes, France
   Centre de Recherches sur les Macromolécules Végétales, Université de Grenoble Alpes, Centre National de la Recherche Scientifique, Grenoble, France
C2 RUSSIAN ACAD SCI, RUSSIA
   IFREMER, FRANCE
   UNIV NANTES, FRANCE
   UNIV GRENOBLE ALPES, FRANCE
SI NANTES
SE PDG-RBE-BRM-LEMMMB
IN WOS Ifremer UPR
   copubli-france
   copubli-univ-france
   copubli-int-hors-europe
IF 11.2
TC 8
UR https://archimer.ifremer.fr/doc/00730/84248/99889.pdf
LA English
DT Article
DE ;Exopolysaccharides;Alteromonas infernus;3 dimensional structures;Gel forming;Molecular dynamics;Quantum chemistry;Calcium binding
AB 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. 
PY 2022
PD JAN
SO Carbohydrate Polymers
SN 0144-8617
PU Elsevier BV
VL 276
UT 000708818500002
DI 10.1016/j.carbpol.2021.118732
ID 84248
ER

EF