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1jo2

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Revision as of 21:49, 24 November 2007 by OCA (Talk | contribs)
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1jo2, resolution 1.50Å

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Crystal Structure of the B-DNA Hexamer (CgATCG).Daunomycin Complex Containing a Ribose at the Intercalation Site

Overview

The crystal structure of a DNA/RNA chimera (dC)(rG)d(ATCG) complexed with, the anticancer drug daunomycin has been determined at 1.5 A resolution, with R(work) and R(free) of 19.7 and 23.3%, respectively, for 2767, reflections. The complex crystallizes in space group P4(1)2(1)2, with, unit-cell parameters a = b = 28.05, c = 53.16 A, and contains one nucleic, acid strand and one daunomycin molecule in the asymmetric unit. To our, knowledge, this is the first crystal structure of a DNA/RNA chimera, complexed with an intercalating drug. The DNA/RNA chimera adopts the, B-form helical conformation, with the 2'-hydroxyl group in the major, groove of the duplex, forming hydrogen bonds to N7 and the anionic, phosphate oxygen of its 3'-side adenine. The present results indicate that, the replacement by the ribose sugar in the DNA sequence does not change, the geometry and intercalation pattern of daunomycin. A model of B-form, RNA has been built based on the present structure. The model indicates, that the interactions of the 2'-hydroxyl groups in the B-form duplex, depend on their 3'-side nucleotides.

About this Structure

1JO2 is a Protein complex structure of sequences from [1] with DM1 as ligand. Full crystallographic information is available from OCA.

Reference

Structure of a B-form DNA/RNA chimera (dC)(rG)d(ATCG) complexed with daunomycin at 1.5 A resolution., Shi K, Pan B, Sundaralingam M, Acta Crystallogr D Biol Crystallogr. 2003 Aug;59(Pt 8):1377-83. Epub 2003, Jul 23. PMID:12876339

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