1d12

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==STRUCTURAL COMPARISON OF ANTICANCER DRUG-DNA COMPLEXES. ADRIAMYCIN AND DAUNOMYCIN==
==STRUCTURAL COMPARISON OF ANTICANCER DRUG-DNA COMPLEXES. ADRIAMYCIN AND DAUNOMYCIN==
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<StructureSection load='1d12' size='340' side='right' caption='[[1d12]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
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<StructureSection load='1d12' size='340' side='right'caption='[[1d12]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[1d12]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1D12 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1D12 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[1d12]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1D12 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1D12 FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DM2:DOXORUBICIN'>DM2</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=SPM:SPERMINE'>SPM</scene><br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.7&#8491;</td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1d12 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d12 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1d12 RCSB], [http://www.ebi.ac.uk/pdbsum/1d12 PDBsum]</span></td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DM2:DOXORUBICIN'>DM2</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=SPM:SPERMINE'>SPM</scene></td></tr>
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<table>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1d12 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d12 OCA], [https://pdbe.org/1d12 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1d12 RCSB], [https://www.ebi.ac.uk/pdbsum/1d12 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1d12 ProSAT]</span></td></tr>
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<div style="background-color:#fffaf0;">
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</table>
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== Publication Abstract from PubMed ==
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The anticancer drugs adriamycin and daunomycin have each been crystallized with the DNA sequence d(CGATCG) and the three-dimensional structures of the complexes solved at 1.7- and 1.5-A resolution, respectively. These antitumor drugs have significantly different clinical properties, yet they differ chemically by only the additional hydroxyl at C14 of adriamycin. In these complexes the chromophore is intercalated at the CpG steps at either end of the DNA helix with the amino sugar extended into the minor groove. Solution of the structure of daunomycin bound to d(CGATCG) has made it possible to compare it with the previously reported structure of daunomycin bound to d(CGTACG). Although the two daunomycin complexes are similar, there is an interesting sequence dependence of the binding of the amino sugar to the A-T base pair outside the intercalation site. The complex of daunomycin with d(CGATCG) has tighter binding than the complex with d(CGTACG), leading us to infer a sequence preference in the binding of this anthracycline drug. The structures of daunomycin and adriamycin with d(CGATCG) are very similar. However, there are additional solvent interactions with the adriamycin C14 hydroxyl linking it to the DNA. Surprisingly, under the influence of the altered solvation, there is considerable difference in the conformation of spermine in these two complexes. The observed changes in the overall structures of the ternary complexes amplify the small chemical differences between these two antibiotics and provide a possible explanation for the significantly different clinical activities of these important drugs.
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Structural comparison of anticancer drug-DNA complexes: adriamycin and daunomycin.,Frederick CA, Williams LD, Ughetto G, van der Marel GA, van Boom JH, Rich A, Wang AH Biochemistry. 1990 Mar 13;29(10):2538-49. PMID:2334681<ref>PMID:2334681</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Boom, J H.Van.]]
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[[Category: Large Structures]]
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[[Category: Frederick, C A.]]
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[[Category: Frederick CA]]
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[[Category: Marel, G A.Van Der.]]
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[[Category: Rich A]]
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[[Category: Rich, A.]]
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[[Category: Ughetto G]]
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[[Category: Ughetto, G.]]
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[[Category: Van Boom JH]]
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[[Category: Wang, A H.J.]]
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[[Category: Van Der Marel GA]]
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[[Category: Williams, L D.]]
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[[Category: Wang AH-J]]
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[[Category: Complexed with drug]]
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[[Category: Williams LD]]
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[[Category: Dna]]
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[[Category: Double helix]]
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[[Category: Right handed dna]]
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STRUCTURAL COMPARISON OF ANTICANCER DRUG-DNA COMPLEXES. ADRIAMYCIN AND DAUNOMYCIN

PDB ID 1d12

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