1jhi
From Proteopedia
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|PDB= 1jhi |SIZE=350|CAPTION= <scene name='initialview01'>1jhi</scene> | |PDB= 1jhi |SIZE=350|CAPTION= <scene name='initialview01'>1jhi</scene> | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=HEH:HEDAMYCIN'>HEH</scene> | + | |LIGAND= <scene name='pdbligand=DA:2'-DEOXYADENOSINE-5'-MONOPHOSPHATE'>DA</scene>, <scene name='pdbligand=DC:2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE'>DC</scene>, <scene name='pdbligand=DG:2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE'>DG</scene>, <scene name='pdbligand=DT:THYMIDINE-5'-MONOPHOSPHATE'>DT</scene>, <scene name='pdbligand=HEH:HEDAMYCIN'>HEH</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1jhi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jhi OCA], [http://www.ebi.ac.uk/pdbsum/1jhi PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1jhi RCSB]</span> | ||
}} | }} | ||
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[[Category: Owen, E A.]] | [[Category: Owen, E A.]] | ||
[[Category: Wickham, G.]] | [[Category: Wickham, G.]] | ||
| - | [[Category: HEH]] | ||
[[Category: duplex dna]] | [[Category: duplex dna]] | ||
[[Category: hedamycin]] | [[Category: hedamycin]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:33:44 2008'' |
Revision as of 18:33, 30 March 2008
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| Ligands: | , , , , | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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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