Variable role of ions in two drug intercalation complexes of DNA |
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Authors: | Núria Valls Roberto A. Steiner Glenford Wright Garib N. Murshudov Juan A. Subirana |
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Affiliation: | (1) Departament d’Enginyeria Química, Universitat Politècnica de Catalunya, Avinguda Diagonal 647, 08028 Barcelona, Spain;(2) York Structural Biology Laboratory, Department of Chemistry, University of York, York, Y010 5YW, UK |
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Abstract: | The crystal structures of the hexamer duplex d(CGTACG)2 complexed with the intercalating anthraquinone derivative 1,5-bis[3-(diethylamino)propionamido]anthracene-9,10-dione and the acridine derivative 9-acridinyl tetralysine have been solved at 2.0- and 1.4-Å resolution, respectively. In both cases, the drugs adopt multiple orientations within a large DNA cavity constituted by two groups of four approximately coplanar bases. Cations play a pivotal role in the crystal structure. Both complexes crystallise in the presence of Co2+, Ba2+ and Na+ ions. They reveal at least two different types of coordination environments: (1) specific sites for Co2+ interacting with N7 of guanine; (2) a central ionic site formed by four phosphate groups, which can be occupied by different ions. One more ionic site that is not always occupied by ions is also visible in the electron density map. All of them play a role in the crystal structure. |
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Keywords: | Ions Oligonucleotide Drug Intercalation |
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