If there is a covalent link, maybe sending a sample off to mass spec
would be a good idea.  That would remove some of the guesswork.

Dale Tronrud

On 7/20/2020 9:16 AM, samer halabi wrote:
> Hello all,
> I have few blobs in an MHC II structure I am working on, especially
> opposite to Histidine as in the accompanying screenshot, that I am
> confused about.
> 
> In the crystal conditions, I have Tris, Imidazole, Acetate, PEG and
> Glycerol.
> Whatever ligand I am fitting in I am getting a clash (overlap -1.029),
> which makes me think whether there is a covalent bond forming between
> Histidine and other molecule. Perhaps by oxidation.
> 
> I would greatly appreciate if you can advice me about it, whether there
> is some kind of ligand I can try to fit and if this is something that
> occurs in some structures.
> Thank you.
> Best regards,
> Samer
> 
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