Journal article
Molecular simulations of carbohydrates with a fucose-binding Burkholderia ambifaria lectin suggest modulation by surface residues outside the fucose-binding pocket
T Dingjan, A Imberty, S Pérez, E Yuriev, PA Ramsland
Frontiers in Pharmacology | FRONTIERS MEDIA SA | Published : 2017
Abstract
Burkholderia ambifaria is an opportunistic respiratory pathogen belonging to the Burkholderia cepacia complex, a collection of species responsible for the rapidly fatal cepacia syndrome in cystic fibrosis patients. A fucose-binding lectin identified in the B. ambifaria genome, BambL, is able to adhere to lung tissue, and may play a role in respiratory infection. X-ray crystallography has revealed the bound complex structures for four fucosylated human blood group epitopes (blood group B, H type 1, H type 2, and Lex determinants). The present study employed computational approaches, including docking and molecular dynamics (MD), to extend the structural analysis of BambL-oligosaccharide compl..
View full abstractGrants
Awarded by Victorian Life Sciences Computation Initiative (VLSCI)
Awarded by Multi-modal Australian ScienceS Imaging and Visualization Environment (MASSIVE)
Awarded by Universite Grenoble Alpes through Glyco@Alps
Awarded by Labex ARCANE
Awarded by Austrian Science Fund (FWF)
Funding Acknowledgements
This work was supported by a Victorian Life Sciences Computation Initiative (VLSCI) grant number VR0250 on its Peak Computing Facility at the University of Melbourne, an initiative of the Victorian Government, Australia, and with the assistance of resources from the National Computational Infrastructure (NCI), which is supported by the Australian Government, and the Multi-modal Australian ScienceS Imaging and Visualization Environment (MASSIVE) via grant Y96. TD) is supported by an Australian Postgraduate Award (APA) scholarship. AI and SP are supported by CNRS, Universite Grenoble Alpes through Glyco@Alps (ANR-15-IDEX-02) and Labex ARCANE (ANR-11-LABX-0003-01). PR is supported by an RMIT University Vice Chancellor's Senior Research Fellowship.