1pfe

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1pfe, resolution 1.10Å

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Echinomycin-(gcgtacgc)2 complex

Overview

The structure of the bis-intercalation complex of the depsipeptide, antibiotic echinomycin with (CGTACG)2 has been redetermined at a higher, resolution (1.4 A) and new high-resolution structures (1.1-1.5 A) are, reported for the complexes of echinomycin with (GCGTACGC)2 (at both low, and high ionic strengths) and (ACGTACGT)2. The structures show the, expected Hoogsteen pairing for the base pairs flanking the intercalating, chromophores on the outside and Watson-Crick pairing for both base pairs, enclosed by the echinomycin. In the octamer complexes but not the hexamer, complex, the echinomycin molecule, which would possess a molecular twofold, axis were it not for the thioacetal bridge, shows twofold disorder. In all, the structures the stacking of the base pairs and chromophores is extended, by intermolecular stacking. The structures provide more precise details of, the hydrogen bonding and other interactions between the bis-intercalating, antibiotics and the duplex DNA than were previously available.

About this Structure

1PFE is a Protein complex structure of sequences from [1] with CL, QUI, DSN, ALA, NCY, MVA and SER as ligands. Full crystallographic information is available from OCA.

Reference

Structures of complexes between echinomycin and duplex DNA., Cuesta-Seijo JA, Sheldrick GM, Acta Crystallogr D Biol Crystallogr. 2005 Apr;61(Pt 4):442-8. Epub 2005, Mar 24. PMID:15805599

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