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Back Cover: Structural Biology of Cisplatin Complexes with Cellular Targets: The Adduct with Human Copper Chaperone Atox1 in Aqueous Solution (Chem. Eur. J. 37/2014)
Author(s) -
Calandrini Vania,
Nguyen Trung Hai,
Arnesano Fabio,
Galliani Angela,
Ippoliti Emiliano,
Carloni Paolo,
Natile Giovanni
Publication year - 2014
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201490157
Subject(s) - adduct , aqueous solution , chemistry , copper , nuclear magnetic resonance spectroscopy , chaperone (clinical) , transporter , molecular dynamics , cisplatin , crystallography , stereochemistry , biochemistry , computational chemistry , gene , biology , organic chemistry , genetics , medicine , pathology , chemotherapy
Hybrid QM/MM simulations and molecular spectroscopy provide structural insights on cisplatin binding to the copper transporter Atox1 in water solution. A molecular model of the platinated protein is provided. In this model, the Pt atom binds to Cys12 and Cys15 while retaining its two cis ammine ligands. The calculated 1 H, 13 C, and 15 N NMR chemical shifts and CD spectra of this model are in accord with experiment. For the complete story see the Full Paper by P. Carloni et al. on page 11719 ff.