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2017 ; 73
(Pt 3
): 223-233
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CheckMyMetal: a macromolecular metal-binding validation tool
#MMPMID28291757
Zheng H
; Cooper DR
; Porebski PJ
; Shabalin IG
; Handing KB
; Minor W
Acta Crystallogr D Struct Biol
2017[Mar]; 73
(Pt 3
): 223-233
PMID28291757
show ga
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
http://csgid.org/csgid/metal_sites. 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.