ArticlePloS one2013
Computational screening of the human TF-glycome provides a structural definition for the specificity of anti-tumor antibody JAA-F11.
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, 32 citations in OpenAlex.
- Synthetic Phenolic Glycolipids for Application in Diagnostic Tests for Leprosy.Chembiochem : a European journal of chemical biology · 2021Article
- Three-Dimensional Structures of Carbohydrates and Where to Find Them.International journal of molecular sciences · 2020Review
- Unique Binding Specificities of Proteins toward Isomeric Asparagine-Linked Glycans.Cell chemical biology · 2019Article
- Glycan Microarrays as Chemical Tools for Identifying Glycan Recognition by Immune Proteins.Frontiers in chemistry · 2019Review
- Defining the Specificity of Carbohydrate-Protein Interactions by Quantifying Functional Group Contributions.Journal of chemical information and modeling · 2018Article
- Predicting the Structures of Glycans, Glycoproteins, and Their Complexes.Chemical reviews · 2018Review
- A combined computational-experimental approach to define the structural origin of antibody recognition of sialyl-Tn, a tumor-associated carbohydrate antigen.Scientific reports · 2018Article
- Preclinical Analysis of JAA-F11, a Specific Anti-Thomsen-Friedenreich Antibody via Immunohistochemistry and In Vivo Imaging.Translational oncology · 2018Article
- Applying Pose Clustering and MD Simulations To Eliminate False Positives in Molecular Docking.Journal of chemical information and modeling · 2018Article
- Humanization of JAA-F11, a Highly Specific Anti-Thomsen-Friedenreich Pancarcinoma Antibody and InVitro Efficacy Analysis.Neoplasia (New York, N.Y.) · 2017Article
- Three mutations switch H7N9 influenza to human-type receptor specificity.PLoS pathogens · 2017Article
- The Tetrameric Plant Lectin BanLec Neutralizes HIV through Bidentate Binding to Specific Viral Glycans.Structure (London, England : 1993) · 2017Article
- Induction of Antibodies Directed Against Branched Core O-Mannosyl Glycopeptides-Selectivity Complimentary to the ConA Lectin.Chemistry (Weinheim an der Bergstrasse, Germany) · 2017Article
- Glycan-protein interactions in viral pathogenesis.Current opinion in structural biology · 2016Review
- Combining 3D structure with glycan array data provides insight into the origin of glycan specificity.Glycobiology · 2016Article
- Sialidases as regulators of bioengineered cellular surfaces.Glycobiology · 2015Article
- Editorial: Structural and Computational Glycobiology - Immunity and Infection.Frontiers in immunology · 2015Article
- Recent advances in employing molecular modelling to determine the specificity of glycan-binding proteins.Current opinion in structural biology · 2014Review
- Importance of ligand conformational energies in carbohydrate docking: Sorting the wheat from the chaff.Journal of computational chemistry · 2014Article
- Predicting the Origins of Anti-Blood Group Antibody Specificity: A Case Study of the ABO A- and B-Antigens.Frontiers in immunology · 2014Article
Corrections and comments
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Authors and funding
10 authors at 5 institutions in 2 countries.
Funding
Abstract
Recombinant antibodies are of profound clinical significance; yet, anti-carbohydrate antibodies are prone to undesirable cross-reactivity with structurally related-glycans. Here we introduce a new technology called Computational Carbohydrate Grafting (CCG), which enables a virtual library of glycans to be assessed for protein binding specificity, and employ it to define the scope and structural origin of the binding specificity of antibody JAA-F11 for glycans containing the Thomsen-Friedenreich (TF) human tumor antigen. A virtual library of the entire human glycome (GLibrary-3D) was constructed, from which 1,182 TF-containing human glycans were identified and assessed for their ability to fit into the antibody combining site. The glycans were categorized into putative binders, or non-binders, on the basis of steric clashes with the antibody surface. The analysis employed a structure of the immune complex, generated by docking the TF-disaccharide (Galβ1-3GalNAcα) into a crystal structure of the JAA-F11 antigen binding fragment, which was shown to be consistent with saturation transfer difference (STD) NMR data. The specificities predicted by CCG were fully consistent with data from experimental glycan array screening, and confirmed that the antibody is selective for the TF-antigen and certain extended core-2 type mucins. Additionally, the CCG analysis identified a limited number of related putative binding motifs, and provided a structural basis for interpreting the specificity. CCG can be utilized to facilitate clinical applications through the determination of the three-dimensional interaction of glycans with proteins, thus augmenting drug and vaccine development techniques that seek to optimize the specificity and affinity of neutralizing proteins, which target glycans associated with diseases including cancer and HIV.
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Registered trials
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