>I had a question about flexibility in ligand binding in an enzyme active site. >Is it possible for a substrate/product analogue to bind in more than one >conformation in the active site.
Yes. It is even possible for portions of a ligand to be disordered and not discernable in electron density. >Since the ligand/enzyme interactions are very specific I am a little confused >about this. >Also which program would you use if you have to refine with alternate ligand >conformation. REFMAC will do this just fine. Just make sure you have the "A", "B" conformers set in the PDB file. EG: ATOM 72 CA APRO A 7 -2.619 28.983 -0.796 0.62 6.48 C ATOM 73 CA BPRO A 7 -2.226 29.044 -0.847 0.38 5.76 C
