1enn

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1enn, resolution 0.89Å

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SOLVENT ORGANIZATION IN AN OLIGONUCLEOTIDE CRYSTAL: THE STRUCTURE OF D(GCGAATTCG)2 AT ATOMIC RESOLUTION

Overview

We describe the crystal structure of d(GCGAATTCG) determined by x-ray, diffraction at atomic resolution level (0.89 A). The duplex structure is, practically identical to that described at 2.05 A resolution (Van, Meervelt, L., Vlieghe, D., Dautant, A., Gallois, B., Precigoux, G., and, Kennard, O. (1995) Nature 374, 742-744), however about half of the, phosphate groups show multiple conformations. The crystal has three, regions with different solvent structure. One of them contains several, ordered Mg(+2) ions and can be considered as an ionic crystal. A second, region is formed by a network of ordered water molecules with a polygonal, organization that binds three duplexes. The third region is formed by, channels of solvent in which very few ordered solvent molecules are, visible. The less ordered phosphates are found facing this channel. The, latter region provides a view of DNA with highly movable charges, both, negative phosphates and counterions, without a precise location.

About this Structure

1ENN is a Protein complex structure of sequences from [1] with MG, CL and O as ligands. This structure superseeds the now removed PDB entry 475D. Full crystallographic information is available from OCA.

Reference

Solvent organization in an oligonucleotide crystal. The structure of d(GCGAATTCG)2 at atomic resolution., Soler-Lopez M, Malinina L, Subirana JA, J Biol Chem. 2000 Jul 28;275(30):23034-44. PMID:10749874

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