scPDB BO1 subset (protein ligand-binding sites)

The BO1 subset of the scPDB database. BO1 consists in 766 pairs of non-redundant binding-sites (383 similar pairs, 383 dissimilar pairs). BO1 was describbed in: --- Eguida, M., & Rognan, D. (2020). A computer vision approach to align and compare protein cavities: application to fragment-based drug design. Journal of Medicinal Chemistry, 63(13), 7127-7142. https://doi.org/10.1021/acs.jmedchem.0c00422 --- The scPDB was recently describbed in: --- Desaphy, J., Bret, G., Rognan, D., & Kellenberger, E. (2015). sc-PDB: a 3D-database of ligandable binding sites—10 years on. Nucleic acids research, 43(D1), D399-D404. https://doi.org/10.1093/nar/gku928 --- The scPDB is available at: http://bioinfo-pharma.u-strasbg.fr/scPDB/