The 90 zinc containing metalloprotein-ligand complexes uploaded here have been prepared in the force field compatible manner as described in the methodology section [1]. There is a separate PDB file of each complex prepared using Method 1 or Method 2 in the respective format. Experimental binding free energies in kcal/mol (EBFE) and Predicted binding free energies in kcal/mol (PBFE) of each complex are provided. Click on the PDB ID to download the metalloprotein-ligand complex. This downloaded file can then be used as an input for the Binding Affinity Prediction of Protein-Ligand complex containing Zinc (BAPPL-Z) server to get the predicted binding free energy of the complex.