CheckMyMetal: a macromolecular metal-binding validation tool

Acta Crystallogr D Struct Biol. 2017 Mar 1;73(Pt 3):223-233. doi: 10.1107/S2059798317001061. Epub 2017 Feb 22.


Metals are essential in many biological processes, and metal ions are modeled in roughly 40% of the macromolecular structures in the Protein Data Bank (PDB). However, a significant fraction of these structures contain poorly modeled metal-binding sites. CheckMyMetal (CMM) is an easy-to-use metal-binding site validation server for macromolecules that is freely available at The CMM server can detect incorrect metal assignments as well as geometrical and other irregularities in the metal-binding sites. Guidelines for metal-site modeling and validation in macromolecules are illustrated by several practical examples grouped by the type of metal. These examples show CMM users (and crystallographers in general) problems they may encounter during the modeling of a specific metal ion.

Keywords: CheckMyMetal; coordination geometry; metal-binding environment; validation.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Binding Sites
  • Crystallography, X-Ray
  • Databases, Protein
  • Magnesium / metabolism
  • Metals / metabolism*
  • Models, Molecular
  • Proteins / chemistry
  • Proteins / metabolism*
  • Sodium / metabolism
  • Software


  • Metals
  • Proteins
  • Sodium
  • Magnesium