CMM-An enhanced platform for interactive validation of metal binding sites

Metal ions bound to macromolecules play an integral role in many cellular processes. They can directly participate in catalytic mechanisms or be essential for the structural integrity of proteins and nucleic acids. However, their unique nature in macromolecules can make them difficult to model and refine, and a substantial portion of metal ions in the PDB are misidentified or poorly refined. CheckMyMetal (CMM) is a validation tool that has gained widespread acceptance as an essential tool for researchers working on metal-macromolecule complexes. CMM can be used during structure determination or to validate metal binding sites in structural models within the PDB. The functionalities of CMM have recently been greatly enhanced and provide researchers with additional information that can guide modeling decisions. The new version of CMM shows metals in the context of electron density maps and allows for on-the-fly refinement of metal binding sites. The improvements should increase the reproducibility of biomedical research. The web server is available at .

Automated summary

Metal ions bound to macromolecules play a vital role in cellular processes, but their unique nature makes them challenging to model and refine, resulting in misidentification or poor refinement in the PDB. CheckMyMetal (CMM) is a widely accepted validation tool for researchers studying metal-macromolecule complexes. The enhanced functionalities of CMM provide additional information and allow for on-the-fly refinement of metal binding sites, improving the reproducibility of biomedical research.