ArticleScientific reports2019
Exploring designability of electrostatic complementarity at an antigen-antibody interface directed by mutagenesis, biophysical analysis, and molecular dynamics simulations.
Article in Scientific reports, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 26 papers.
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Who cites it
26 citing papers in PubMed.
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- Protonation States of Proton-Sensing Glutamate Residues in Transporter Sialin.International journal of molecular sciences · 2026Article
- Machine Learning Methods for Protein-Protein Interaction Prediction Based on Noncovalent Interactions.ACS omega · 2026Article
- Nanobodies in biomedicine: from molecular characteristics to fabrication and clinical translation.Military Medical Research · 2026Review
- Antibody Affinity Maturation by Computational Design.Methods in molecular biology (Clifton, N.J.) · 2026Article
- High-throughput single-cell analysis reveals Omp38-specific monoclonal antibodies that protect againstEmerging microbes & infections · 2025Article
- High-throughput single-cell analysis reveals fully human Omp38-specific monoclonal antibodies against Acinetobacter baumannii.BMC microbiology · 2025Article
- Compact Assessment of Molecular Surface Complementarities Enhances Neural Network-Aided Prediction of Key Binding Residues.Journal of chemical information and modeling · 2025Article
- Pathogenic and Antigenic Analyses of H5N1 High Pathogenicity Avian Influenza Virus Isolated in the 2022/2023 Season From Poultry Farms in Izumi City, Japan.Transboundary and emerging diseases · 2025Article
- Computational electrostatic engineering of nanobodies for enhanced SARS-CoV-2 receptor binding domain recognition.Frontiers in molecular biosciences · 2025Article
- Rational design of antibodies and development of a novel method for (1-3)-β-D glucan detection as an alternative to Limulus amebocyte lysate assay.Frontiers in cellular and infection microbiology · 2024Article
- Theranostic signature of tumor-derived exosomes in cancer.Medical oncology (Northwood, London, England) · 2023Review
- The role of acidification of the medium on the erythrocyte agglutinating and adsorbing properties of blood group-specific monoclonal antibodies.Korean journal of transplantation · 2023Article
- Article
- Electrostatic complementarity at the interface drives transient protein-protein interactions.Scientific reports · 2023Article
- Advancement in COVID-19 detection using nanomaterial-based biosensors.Exploration (Beijing, China) · 2023Review
- Role of the mechanisms for antibody repertoire diversification in monoclonal light chain deposition disorders: when a friend becomes foe.Frontiers in immunology · 2023Review
- Human IgE monoclonal antibody recognition of mite allergen Der p 2 defines structural basis of an epitope for IgE cross-linking and anaphylaxisPNAS nexus · 2022Article
- Recombinantly Expressed Chimeric Fibers Demonstrate Discrete Type-Specific Neutralizing Epitopes in theMicrobiology spectrum · 2022Article
- Communication pathways bridge local and global conformations in an IgG4 antibody.Scientific reports · 2021Article
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Authors and funding
8 authors.
Funding
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Abstract
Antibodies protect organisms from a huge variety of foreign antigens. Antibody diversity originates from both genetic and structural levels. Antigen recognition relies on complementarity between antigen-antibody interfaces. Recent methodological advances in structural biology and the accompanying rapid increase of the number of crystal structures of proteins have enabled atomic-level manipulation of protein structures to effect alterations in function. In this study, we explored the designability of electrostatic complementarity at an antigen-antibody interface on the basis of a crystal structure of the complex. We designed several variants with altered charged residues at the interface and characterized the designed variants by surface plasmon resonance, circular dichroism, differential scanning calorimetry, and molecular dynamics simulations. Both successes and failures of the structure-based design are discussed. The variants that compensate electrostatic interactions can restore the interface complementarity, enabling the cognate antigen-antibody binding. Retrospectively, we also show that these mutational effects could be predicted by the simulations. Our study demonstrates the importance of charged residues on the physical properties of this antigen-antibody interaction and suggests that computational approaches can facilitate design of antibodies that recognize a weakly immunogenic antigen.
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