Where to get the structure of ATPMg+2 complex?

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Dmitry Sharapa

https://pubchem.ncbi.nlm.nih.gov/compound/15126#section=Top

Raghav Saxena

Dear Dmitry Sharapa ,

Their is only a 2D structure with Magnesium , no 3 D structure with magnesium on this website.

Regards,

Raghav

Scroll down to paragraph 2 with name "3D Conformer".

Under the text "3D Conformer of Parent Compound Adenosine Triphosphate (CID 5957)" (that give you hint where from this conformer was taken) - you will see 3 buttons with very promising names and pictograms. Magnesium has to be added manually, anyway location of this ion is pretty random.

If your software unable to open any of 4 formats they suggest you to, you can manually edit for examole SDF to XYZ, it take approx 1 minute.