Zhanglab forum

Can COACH be used to identify the active site of a protein if provided with a docked protein PDB model?

Yes, COACH can still be used to identify the active site even if you already have a docked protein PDB model. However, COACH is primarily designed to predict active sites based on the protein’s sequence and structure. If your PDB model already contains the docked ligand, you don’t need COACH for docking; you can directly determine the active site from the model itself. That said, you may still submit your model to COACH; in such cases, COACH will bypass the docking step and infer the active site solely from the protein structure.