PSCDB - Protein Structural Change Database#
The data contained with PSCDB is drawn from the Protein Structural Change Database  . The dataset consists of paired protein structures in their bound and unbound forms across 7 classes of structural rearrangement motion. Several tasks can be formulated with this dataset. E.g. predicting the bound conformation of a protein as and edge-prediction task or graph-classification task predicting which class of structural rearrangement a protein undergoes upon ligand binding.
The dataset can be viewed here: a-r-j/graphein/datasets/pscdb