Hello, could the His be partially acetylated?

Best wishes Jon.C.

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-------- Original Message --------
On 16 Aug 2021, 14:52, Ana Ebrecht wrote:

> Dear all,
>
> I am building the structure of a protein that was crystallized in 0.2 M 
> sodium malonate pH 5.0, 20% w/v polyethylene glycol 3,350.
> During the refinement, we found what we think is a malonate molecule in the 
> active site, but it seems like is bound somehow to the histidine (this His is 
> the catalytic residue of the enzyme), almost like a covalent interaction. 
> Under other conditions of crystallization, the protein bound a sulfate and an 
> acetate in the site but did not show this type of interaction with the 
> histidine.
>
> We couldn't find anything that explains a reaction between the malonate and 
> the histidine.
> Does anyone have experience with this reaction or have seen something similar 
> before?
>
> Thanks
> Kind regards
> Ana
>
> [malonate.jpg]
>
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