Information on structures of protein–ligand complexes,
including
comparisons of known and putative protein–ligand-binding pockets,
is valuable for protein annotation and drug discovery and development.
To facilitate biomedical and pharmaceutical research, we developed
PoSSuM (https://possum.cbrc.pj.aist.go.jp/PoSSuM/), a database for identifying similar binding pockets in proteins.
The current PoSSuM database includes 191 million similar pairs among
almost 10 million identified pockets. PoSSuM drug search (PoSSuMds)
is a resource for investigating ligand and receptor diversity among
a set of pockets that can bind to an approved drug compound. The enhanced
PoSSuMds covers pockets associated with both approved drugs and drug
candidates in clinical trials from the latest release of ChEMBL. Additionally,
we developed two new databases: PoSSuMAg for investigating antibody–antigen
interactions and PoSSuMAF to simplify exploring putative pockets in
AlphaFold human protein models.