[phenixbb] Separate cif files for the same nucleoside analog in it's monophosphate or triphosphate form?

Pavel Afonine pafonine at lbl.gov
Thu Feb 25 17:56:09 PST 2016


> I’m working on several protein/ligand structures, where the ligand is a novel nucleoside analog inhibitor. In each structure the ligand is either non-covalently bound as a ligand-5’-triphosphate (TP), or covalently bound to the protein as ligand-5’-monophosphate (MP). Do I need to create different cif file for ligand-MP and ligand-TP, or phenix can recognize the phosphates and there is no need for that?

you need ligand library CIF files for each unknown to Phenix entity in 
your PDB file. They all can be in one CIF file or spread across several 


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