Hi,
it may be oxidized cysteine. Look here:
https://www.researchgate.net/publication/44656220_Protein_S-thiolation_by_glutathionylspermidine_Gsp_The_role_of_Escherichia_coli_Gsp_synthetASEamidase_in_redox_regulation

and here:
Trundle D, Cunningham LW. Iodine oxidation of the sulfhydryl groups of
creatine kinase. Biochemistry. 1969;8:1919–1925.

Best Michal

czw., 17 mar 2022 o 18:37 Mohd Syed Ahangar <mohdsye...@gmail.com>
napisał(a):

> Hi CCP4BB members.
>
> I have been doing some protein crystal soaking with some covalently
> binding fragments and in one structure I have got an extra density on
> Cysteine but that density doesn't match with the expected fragment. The
> fragment was in the form of iodide salt. when I fit the Iodine in the
> density, it fitted fairly well than any other possible chemical entity.
> From the density map it looks like something is covalently bound to
> Cysteine.
> Now my question is, can a sulphur atom of Cysteine have such an
> interaction with Iodine. The distance between S and Iodine is 2.76A in this
> case as shown in the attached figure.
> I would be grateful if someone can shed some light on this.
>
> Thank you in advance.
> --
>
> Dr. Mohd Syed Ahanger,
>
> Faculty of Biological Sciences,
>
> University of Leeds, Leeds, UK.
>
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