as it appears to bear near the guanidine group of an arginine, I would
suggest it is a partially occupied and disordered sulphate and/or
phosphate.
whether this is practically modellable is another matter, a sulphate
at occ. 0.5 is an option, or putting a water with a remark in the pdb
that this water is really modelling partially occupied and disordered
sulphate and/or phosphate.
Mark
Quoting Katja Schleider <katjaschlei...@yahoo.de>:
Dear all,
I found some fairly substantial density in the active site of my
protein structure. But I don´t know what it should be. My
crystallisation condition consists of lithium sulfate,
citrate-phosphate and peg1000. The whole lot doesn't make a dashed
bit of sense! Any suggestions to fill this density with something?
Picture is attached.
Thanks a lot,
Katja
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