473d

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473d, resolution 1.58Å

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NI2+/GUANINE INTERACTIONS AND NETROPSIN/GUANINE STACKING IN D(CGTATATACG)2

Overview

We present the structure of the decanucleotide d(CGTATATACG) determined by, single crystal X-ray diffraction at 1.58 A resolution. A netropsin drug is, found in the minor groove with guanine stacked on a pyrrole ring of the, drug, a feature described here for the first time. The stacked guanine is, an extra-helical base coming from the end of a neighbour oligonucleotide., This observation may open the way to the development of minor groove, binding drugs with a higher sequence selectivity. The oligonucleotide is, in the B-conformation, but the terminal base-pairs are disrupted: the, cytosine residues are disordered while the guanine residues penetrate into, the minor groove of neighbouring duplexes. Four hydrated Ni ions with, octahedral co-ordination are found associated with the N7 atoms of each, guanine. The high affinity of these ions with guanine suggests that they, may be used as probes for specific guanine residues.

About this Structure

473D is a Protein complex structure of sequences from [1] with and as ligands. Full crystallographic information is available from OCA.

Reference

Stacking interaction of guanine with netropsin in the minor groove of d(CGTATATACG)2., Abrescia NG, Malinina L, Subirana JA, J Mol Biol. 1999 Dec 3;294(3):657-66. PMID:10610787

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