ArticlePloS one2013
Understanding the specificity of human Galectin-8C domain interactions with its glycan ligands based on molecular dynamics simulations.
Article in PloS one, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.
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Who cites it
21 citing papers in PubMed, 39 citations in OpenAlex.
- Multimerin1 and not Galectin-8 tempers WNT signaling to promote gastric chief cell differentiation.Scientific reports · 2026Article
- Multimerin1, not Galectin-8, Promotes Gastric Chief Cell Differentiation by Tempering WNT Signaling.bioRxiv : the preprint server for biology · 2025Article
- CD98hc, a novel of galectin-8 receptor, binds to galectin-8 in an N-glycosylation-dependent manner.Acta biochimica et biophysica Sinica · 2025Article
- Comparative Assessment of Water Models in Protein-Glycan Interaction: Insights from Alchemical Free Energy Calculations and Molecular Dynamics Simulations.Journal of chemical information and modeling · 2024Article
- The role of galectins in mediating the adhesion of circulating cells to vascular endothelium.Frontiers in immunology · 2024Review
- Discovery ofACS medicinal chemistry letters · 2023Article
- Galectin-9 as a Potential Modulator of Lymphocyte Adhesion to Endothelium via Binding to Blood Group H Glycan.Biomolecules · 2023Article
- Characterization of Galectin Fusion Proteins with Glycoprotein Affinity Columns and Binding Assays.Molecules (Basel, Switzerland) · 2023Article
- Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain.ACS medicinal chemistry letters · 2021Article
- The two domains of human galectin-8 bind sialyl- and fucose-containing oligosaccharides in an independent manner. A 3D view by using NMR.RSC chemical biology · 2021Article
- Targeting of early endosomes by autophagy facilitates EGFR recycling and signalling.EMBO reports · 2019Article
- Galectin Targeted Therapy in Oncology: Current Knowledge and Perspectives.International journal of molecular sciences · 2018Review
- Role of N-glycosylation in activation of proMMP-9. A molecular dynamics simulations study.PloS one · 2018Article
- Role of Galectins in Multiple Myeloma.International journal of molecular sciences · 2017Review
- Deep phylogenomics of a tandem-repeat galectin regulating appendicular skeletal pattern formation.BMC evolutionary biology · 2016Article
- Combining 3D structure with glycan array data provides insight into the origin of glycan specificity.Glycobiology · 2016Article
- Galectin-3 Determines Tumor Cell Adaptive Strategies in Stressed Tumor Microenvironments.Frontiers in oncology · 2016Review
- Single molecule study of heterotypic interactions between mucins possessing the Tn cancer antigen.Glycobiology · 2015Article
- Molecular modeling of methyl-α-Neu5Ac analogues docked against cholera toxin--a molecular dynamics study.Glycoconjugate journal · 2015Article
- Recent advances in employing molecular modelling to determine the specificity of glycan-binding proteins.Current opinion in structural biology · 2014Review
Corrections and comments
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Authors and funding
3 authors at 3 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Human Galectin-8 (Gal-8) is a member of the galectin family which shares an affinity for β-galactosides. The tandem-repeat Gal-8 consists of a N- and a C-terminal carbohydrate recognition domain (N- and C-CRD) joined by a linker peptide of various length. Despite their structural similarity both CRDs recognize different oligosaccharides. While the molecular requirements of the N-CRD for high binding affinity to sulfated and sialylated glycans have recently been elucidated by crystallographic studies of complexes with several oligosaccharides, the binding specificities of the C-CRD for a different set of oligosaccharides, as derived from experimental data, has only been explained in terms of the three-dimensional structure for the complex C-CRD with lactose. In this study we performed molecular dynamics (MD) simulations using the recently released crystal structure of the Gal-8C-CRD to analyse the three-dimensional conditions for its specific binding to a variety of oligosaccharides as previously defined by glycan-microarray analysis. The terminal β-galactose of disaccharides (LacNAc, lacto-N-biose and lactose) and the internal β-galactose moiety of blood group antigens A and B (BGA, BGB) as well as of longer linear oligosaccharide chains (di-LacNAc and lacto-N-neotetraose) are interacting favorably with conserved amino acids (H53, R57, N66, W73, E76). Lacto-N-neotetraose and di-LacNAc as well as BGA and BGB are well accommodated. BGA and BGB showed higher affinity than LacNAc and lactose due to generally stronger hydrogen bond interactions and water mediated hydrogen bonds with α1-2 fucose respectively. Our results derived from molecular dynamics simulations are able to explain the glycan binding specificities of the Gal-8C-CRD in comparison to those of the Gal-8N -CRD.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.