1jhi

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spinqualitylabelsall models PDB ID 1jhi Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image
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Solution Structure of a Hedamycin-DNA complex

Overview

Hedamycin, a member of the pluramycin family of drugs, displays a range of biological responses including antitumor and antimicrobial activity. The mechanism of action is via direct interaction with DNA through intercalation between the bases of the oligonucleotide and alkylation of a guanine residue at 5'-PyG-3' sites. There appears to be some minor structural differences between two earlier studies on the interaction of hedamycin with 5'-PyG-3' sites. In this study, a high-resolution NMR analysis of the hedamycin:d(ACCGGT)2 complex was undertaken in order to investigate the effect of replacing the thymine with a guanine at the preferred 5'-CGT-3' site. The resultant structure was compared with earlier work, with particular emphasis placed on the drug conformation. The structure of the hedamycin:d(ACCGGT)2 complex has many features in common with the two previous NMR structures of hedamycin:DNA complexes but differed in the conformation and orientation of the N,N-dimethylvancosamine saccharide of hedamycin in one of these structures. The preferential binding of hedamycin to 5'-CG-3' over 5'-TG-3' binding sites is explained in terms of the orientation and location of the N,N-dimethylvancosamine saccharide in the minor groove.

About this Structure

1JHI is a Protein complex structure of sequences from [1]. Full crystallographic information is available from OCA.

Reference

Structural investigation of the hedamycin:d(ACCGGT)2 complex by NMR and restrained molecular dynamics., Owen EA, Burley GA, Carver JA, Wickham G, Keniry MA, Biochem Biophys Res Commun. 2002 Feb 8;290(5):1602-8. PMID:11820806

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