dc.contributor.author | Bertuzzi, Sara | |
dc.contributor.author | Gimeno, Ana | |
dc.contributor.author | Núñez Franco, Reyes | |
dc.contributor.author | Bernardo Seisdedos, Ganeko | |
dc.contributor.author | Delgado, Sandra | |
dc.contributor.author | Jiménez Oses, Gonzalo | |
dc.contributor.author | Millet Aguilar-Galindo, Oscar | |
dc.contributor.author | Jiménez Barbero, Jesús | |
dc.contributor.author | Ardá, Ana | |
dc.date.accessioned | 2021-02-05T08:46:17Z | |
dc.date.available | 2021-02-05T08:46:17Z | |
dc.date.issued | 2020-12-01 | |
dc.identifier.citation | Chemistry - A European Journal 26(67) : 15643-15653 (2020) | es_ES |
dc.identifier.issn | 0947-6539 | |
dc.identifier.issn | 1521-3765 | |
dc.identifier.uri | http://hdl.handle.net/10810/50053 | |
dc.description.abstract | The interaction of human galectin-1 with a variety of oligosaccharides, from di-(N-acetyllactosamine) to tetra-saccharides (blood B type-II antigen) has been scrutinized by using a combined approach of different NMR experiments, molecular dynamics (MD) simulations, and isothermal titration calorimetry. Ligand- and receptor-based NMR experiments assisted by computational methods allowed proposing three-dimensional structures for the different complexes, which explained the lack of enthalpy gain when increasing the chemical complexity of the glycan. Interestingly, and independently of the glycan ligand, the entropy term does not oppose the binding event, a rather unusual feature for protein-sugar interactions. CLEANEX-PM and relaxation dispersion experiments revealed that sugar binding affected residues far from the binding site and described significant changes in the dynamics of the protein. In particular, motions in the microsecond-millisecond timescale in residues at the protein dimer interface were identified in the presence of high affinity ligands. The dynamic process was further explored by extensive MD simulations, which provided additional support for the existence of allostery in glycan recognition by human galectin-1. | es_ES |
dc.description.sponsorship | This research was supported by the European Research Council (ERC-2017-AdG, project 788143-RECGLYCANMR to J.J.-B.), Agencia Estatal Investigacion of Spain (AEI; grant RTI2018-094751-B-C21 to J.J.-B., RTI2018-099592-B-C22 to G.J.O, RTI2018-101269-B-I00 to O. M., and Ramon y Cajal Contract to A. A.) and the Severo Ochoa Excellence Accreditation (SEV-2016-0644 to J.J.-B.). We also thank Instituto de Salud Carlos III of Spain, ISCIII (grant PRB3 IPT17/0019 to A. G.) and the Mizutani Foundation for Glycoscience (grant 200077 to G.J.O.). | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | Wiley | es_ES |
dc.relation | info:eu-repo/grantAgreement/EC/H2020/788143 | es_ES |
dc.relation | info:eu-repo/grantAgreement/MICINN/RTI2018-094751-B-C21 | es_ES |
dc.relation | info:eu-repo/grantAgreement/MICINN/RTI2018-099592-B-C22 | es_ES |
dc.relation | info:eu-repo/grantAgreement/MICINN/RTI2018-101269-B-I00 | es_ES |
dc.rights | info:eu-repo/semantics/openAccess | es_ES |
dc.rights.uri | http://creativecommons.org/licenses/by-nc/3.0/es/ | * |
dc.subject | allostery | es_ES |
dc.subject | blood group antigens | es_ES |
dc.subject | galectin | es_ES |
dc.subject | glycan molecular recognition | es_ES |
dc.subject | NMR spectroscopy | es_ES |
dc.subject | chemical-exchange | es_ES |
dc.subject | ligand-binding | es_ES |
dc.subject | potential functions | es_ES |
dc.subject | NMR-spectroscopy | es_ES |
dc.subject | proton-exchange | es_ES |
dc.subject | stromal cells | es_ES |
dc.subject | cleanex-PM | es_ES |
dc.subject | protein | es_ES |
dc.subject | dynamics | es_ES |
dc.subject | regulators | es_ES |
dc.title | Unravelling the Time Scale of Conformational Plasticity and Allostery in Glycan Recognition by Human Galectin-1 | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.rights.holder | This is an open access article under the terms of Creative Commons Attribution (CC BY-NC 4.0) | es_ES |
dc.rights.holder | Atribución-NoComercial 3.0 España | * |
dc.relation.publisherversion | https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/chem.202003212 | es_ES |
dc.identifier.doi | 10.1002/chem.202003212 | |
dc.contributor.funder | European Commission | |
dc.departamentoes | Química orgánica II | es_ES |
dc.departamentoeu | Kimika organikoa II | es_ES |