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MetalS2 is a tool for pairwise structural alignment of Minimal Functional Sites (MFSs) found in metal-binding biological macromolecules.

If you want to search the MetalPDB database for structuraly similar sites, you can use the MetalS3 database search tool.

MetalS2: a tool for the structural alignment of minimal functional sites in metal-binding proteins and nucleic acids.
Andreini C, Cavallaro G, Rosato A, Valasatava Y.
J Chem Inf Model. 2013 Nov 25;53(11):3064-75. Epub 2013 Oct 28. [PMID: 24117467]
Please cite this article to reference MetalS2 in publications.