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| - | [[Image:1imr.gif|left|200px]] | |
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| - | {{Structure
| + | ==MOLECULAR STRUCTURE OF THE HALOGENATED ANTI-CANCER DRUG IODODOXORUBICIN COMPLEXED WITH D(TGTACA) AND D(CGATCG)== |
| - | |PDB= 1imr |SIZE=350|CAPTION= <scene name='initialview01'>1imr</scene>, resolution 1.600Å
| + | <StructureSection load='1imr' size='340' side='right'caption='[[1imr]], [[Resolution|resolution]] 1.60Å' scene=''> |
| - | |SITE=
| + | == Structural highlights == |
| - | |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=DM7:4'-DEOXY-4'-IODODOXORUBICIN'>DM7</scene>, <scene name='pdbligand=DT:THYMIDINE-5'-MONOPHOSPHATE'>DT</scene>
| + | <table><tr><td colspan='2'>[[1imr]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1IMR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1IMR FirstGlance]. <br> |
| - | |ACTIVITY=
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.6Å</td></tr> |
| - | |GENE=
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DM7:4-DEOXY-4-IODODOXORUBICIN'>DM7</scene></td></tr> |
| - | |DOMAIN=
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1imr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1imr OCA], [https://pdbe.org/1imr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1imr RCSB], [https://www.ebi.ac.uk/pdbsum/1imr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1imr ProSAT]</span></td></tr> |
| - | |RELATEDENTRY=
| + | </table> |
| - | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1imr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1imr OCA], [http://www.ebi.ac.uk/pdbsum/1imr PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1imr RCSB]</span>
| + | __TOC__ |
| - | }}
| + | </StructureSection> |
| - | | + | [[Category: Large Structures]] |
| - | '''MOLECULAR STRUCTURE OF THE HALOGENATED ANTI-CANCER DRUG IODODOXORUBICIN COMPLEXED WITH D(TGTACA) AND D(CGATCG)'''
| + | [[Category: Berger I]] |
| - | | + | [[Category: Burke TG]] |
| - | | + | [[Category: Kang C]] |
| - | ==Overview==
| + | [[Category: Rich A]] |
| - | 4'-Deoxy-4'-iododoxorubicin, a halogenated anthracycline derivative, is an anticancer agent currently under Phase II clinical trials. In preclinical studies, it has demonstrated significantly reduced levels of cardiotoxicity compared to currently employed anthracyclines. It also has modified pharmacological properties resulting in an altered spectrum of experimental antitumor activity. The iodine atom at the 4' position of the sugar ring reduces the basicity and enhances the lipophilicity of this compound as compared to related anthracycline drugs. We report here single crystal X-ray diffraction studies of the complexes of 4'-deoxy-4'-iododoxorubicin with the hexanucleotide duplex sequences d(TGTACA) and d(CGATCG) at 1.6 and 1.5 A, respectively. The iodine substituent does not alter the geometry of intercalation as compared to previously solved anthracycline complexes, but appears to markedly affect the solvent environment of the structures. This could have consequences for the interaction of this drug with DNA and DNA binding proteins in cells.
| + | [[Category: Spitzner JR]] |
| - | | + | [[Category: Su L]] |
| - | ==About this Structure==
| + | |
| - | 1IMR is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/ ]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1IMR OCA].
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| - | | + | |
| - | ==Reference==
| + | |
| - | Molecular structure of the halogenated anti-cancer drug iododoxorubicin complexed with d(TGTACA) and d(CGATCG)., Berger I, Su L, Spitzner JR, Kang C, Burke TG, Rich A, Nucleic Acids Res. 1995 Nov 11;23(21):4488-94. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/7501474 7501474]
| + | |
| - | [[Category: Protein complex]] | + | |
| - | [[Category: Berger, I.]] | + | |
| - | [[Category: Burke, T G.]] | + | |
| - | [[Category: Kang, C.]] | + | |
| - | [[Category: Rich, A.]] | + | |
| - | [[Category: Spitzner, J R.]] | + | |
| - | [[Category: Su, L.]] | + | |
| - | [[Category: complexed with drug]]
| + | |
| - | [[Category: double helix]]
| + | |
| - | [[Category: right handed dna]]
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| - | | + | |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:21:49 2008''
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