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Naked Metal Cations Swimming in Protein Crystals

1
Department of Structural and Computational Biology, Max Perutz Labs, University of Vienna, Vienna 1030, Austria
2
Department of Biochemistry, Faculty of Chemistry and Chemical Technology, University of Ljubljana, Ljubljana 1001, Slovenia
3
Department of Chemistry, University of Pavia, Pavia 27100, Italy
*
Authors to whom correspondence should be addressed.
Crystals 2019, 9(11), 581; https://doi.org/10.3390/cryst9110581
Received: 14 October 2019 / Revised: 4 November 2019 / Accepted: 5 November 2019 / Published: 7 November 2019
(This article belongs to the Section Biomolecular Crystals)
The presence of isolated metal cations, far from any other atom, is not uncommon in protein crystal structures. A systematic survey of the Protein Data Bank showed that nearly 8% of the metal cations are naked, more frequently if they can interact only electrostatically with their neighbors. Surprisingly, this seemed to be only weakly related to the crystallographic resolution. View Full-Text
Keywords: metal cation; protein crystal structure; protein data bank; structure validation metal cation; protein crystal structure; protein data bank; structure validation
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Djinović-Carugo, K.; Carugo, O. Naked Metal Cations Swimming in Protein Crystals. Crystals 2019, 9, 581.

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