1xcu
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oligonucleotid/drug complex
OverviewOverview
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-A 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 Co(2+), Ba(2+), and Na(+) ions. They reveal at least two different types of coordination, environments: (1) specific sites for Co(2+) 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.
About this StructureAbout this Structure
1XCU is a Protein complex structure of sequences from [1] with CO, BA, NA and AN9 as ligands. Full crystallographic information is available from OCA.
ReferenceReference
Variable role of ions in two drug intercalation complexes of DNA., Valls N, Steiner RA, Wright G, Murshudov GN, Subirana JA, J Biol Inorg Chem. 2005 Aug;10(5):476-82. Epub 2005 Sep 23. PMID:15926069
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