View source for 1jhi


==Solution Structure of a Hedamycin-DNA complex==
<StructureSection load='1jhi' size='340' side='right'caption='[[1jhi]]' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1jhi]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1JHI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1JHI FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HEH:HEDAMYCIN'>HEH</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1jhi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jhi OCA], [https://pdbe.org/1jhi PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1jhi RCSB], [https://www.ebi.ac.uk/pdbsum/1jhi PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1jhi ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
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.

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<ref>PMID:11820806</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 1jhi" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Burley GA]]
[[Category: Carver JA]]
[[Category: Keniry MA]]
[[Category: Owen EA]]
[[Category: Wickham G]]