Dear all I think this was discussed before on this board but I can't find the relevant thread(s), so apologies.
I have a crystal structure on an enzyme with the NAD+ cofactor bound but no substrate, despite trying both co-crystallization and soaking methods and collecting datasets from 20-30 crystals. Is there a way of identifying the approximate path that the substrate takes from the outside into the active site computationally using electrostatics, residue chemistry etc.? Thanks Mohamed
