Hi everybody, I just solved the structures of an enzyme an some variants. In the active site cavity of each variant I found one or two fragments of PEG1000 bound. I used PEG1000 in the crystallization condition. Among the enzyme variants the number of non-hydrogen atoms of these PEG fragments varies between 7 and 19 atoms. Now I want to deposit the structures in the pdb and my question is, if I have to define each fragment as a single ligand (what would be a lot of work) or can I define them as PEG1000 molecules? Thanks.
K.S.
