If your enzyme is related to others that have known metal binding sites, the information may be available in the literature and/or in the structural databases for the related enzymes, such as https://www.rcsb.org/

Adam B Shapiro Thank you

As Adam B Shapiro has mentioned your protein could have them predicted by using databases, but be aware that variants of well known folds can be challenging to identify. e.g. TET proteins (2-OG oxygenase) where the fold was not identified earlier because it as split by very large interdomains.

MIB server can be used to dock various metal ions into proteins.

http://combio.life.nctu.edu.tw/MIB2/

Might be helpful for you.

Fady N Baselious Thank you so much

Navindu Dinara Gajanayaka

Check this also might be interesting for you.

Preprint PinMyMetal: A hybrid learning system to accurately model met...

Fady N Baselious Thank you