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Systematic classification of metalloproteins based on three-dimensional structural similarity of their metal sites

Yana Valasatava, Yana Valasatava, Antonio Rosato, Claudia Andreini
2015 Protocol Exchange  
We previously defined this as the Minimal Functional Site of a metalloprotein (MFS), and showed that its characteristics are related to the metalloprotein function.  ...  In this work, we developed a methodology to perform a systematic classification based on threedimensional structural similarity of the metal sites contained in metalloproteins.  ...  Consequently, we defined the "minimal functional site" (MFS) in a metal-macromolecule adduct as the ensemble of atoms containing the metal ion or cofactor, all its ligands and any other atom belonging  ... 
doi:10.1038/protex.2015.036 fatcat:kepgxnsofjgt3o4hopjmdoyfoi

Computational approaches for de novo design and redesign of metal-binding sites on proteins

Gunseli Bayram Akcapinar, Osman Ugur Sezerman
2017 Bioscience Reports  
The functional and structural diversity of proteins in nature expanded with the incorporation of metal ions or clusters in proteins.  ...  Realization of the importance of metal-binding sites in a variety of cellular events led to the advancement of various computational methods for their prediction and characterization.  ...  Competing interests The authors declare that there are no competing interests associated with the manuscript. .  ... 
doi:10.1042/bsr20160179 pmid:28167677 pmcid:PMC5482196 fatcat:7oanpxahqveopmijnciatqmqfi