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VCAb: a web-tool for structure-guided exploration of antibodies
Dongjun Guo1,2, Joseph Chi-Fung Ng1, Deborah K Dunn-Walters3
1Institute of Structural and Molecular Biology, University College London, London WC1E 6BT, United Kingdom.
Bioinformatics Advances
|October 14, 2024
Summary
The VCAb web-tool offers a comprehensive database of antibody structures, aiding in antibody engineering and design. It provides crucial isotype and species annotations for 7,166 structures, enhancing therapeutic development.
Area of Science:
- Immunology and Structural Biology
- Computational Biology and Bioinformatics
Background:
- Antibody isotype diversity is critical for effective immune responses and therapeutic applications.
- Engineering antibodies requires detailed structural information and physico-chemical property analysis.
- Existing antibody databases lack consistent isotype annotations and structural coverage for 3D structures.
Purpose of the Study:
- To establish the V and C region bearing antibody (VCAb) web-tool for antibody engineering.
- To provide a centralized, annotated resource for antibody structures.
- To facilitate the design of therapeutic antibodies with enhanced stability and function.
Main Methods:
- Compiled and annotated a dataset of 7,166 experimentally determined antibody structures.
- Included annotations for species, isotypes, and numbering schemes.
- Developed an R shiny application for interactive data interrogation and batch download.
Main Results:
- The VCAb web-tool provides comprehensive data on antibody structures, including V and C regions.
- Annotations for species and isotypes are consistently applied across the dataset.
- The tool facilitates interactive querying and batch downloading of structural information.
Conclusions:
- VCAb serves as an accessible resource for antibody engineering and design.
- The annotated structural data aids in understanding antibody function and developability.
- The open-source implementation promotes further research and development in antibody therapeutics.
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