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1da0

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[[Image:1da0.gif|left|200px]]
 
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==DNA-DRUG INTERACTIONS: THE CRYSTAL STRUCTURE OF D(CGATCG) COMPLEXED WITH DAUNOMYCIN==
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The line below this paragraph, containing "STRUCTURE_1da0", creates the "Structure Box" on the page.
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<StructureSection load='1da0' size='340' side='right'caption='[[1da0]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[1da0]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1DA0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1DA0 FirstGlance]. <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]] 1.5&#8491;</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=DM1:DAUNOMYCIN'>DM1</scene></td></tr>
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{{STRUCTURE_1da0| PDB=1da0 | SCENE= }}
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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=1da0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1da0 OCA], [https://pdbe.org/1da0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1da0 RCSB], [https://www.ebi.ac.uk/pdbsum/1da0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1da0 ProSAT]</span></td></tr>
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</table>
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'''DNA-DRUG INTERACTIONS: THE CRYSTAL STRUCTURE OF D(CGATCG) COMPLEXED WITH DAUNOMYCIN'''
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
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==Overview==
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[[Category: Hunter WN]]
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The structure of a d(CGATCG)-daunomycin complex has been determined by single crystal X-ray diffraction techniques. Refinement, with the location of 40 solvent molecules, using data up to 1.5 A, converged with a final crystallographic residual, R = 0.25 (RW = 0.22). The tetragonal crystals are in space group P4(1)2(1)2, with cell dimensions of a = 27.98 A and c = 52.87 A. The self-complementary d(CGATCG) forms a distorted right-handed helix with a daunomycin molecule intercalated at each d(CpG) step. The daunomycin aglycon chromophore is oriented at right-angles to the long axis of the DNA base-pairs. This head-on intercalation is stabilized by direct hydrogen bonds and indirectly via solvent-mediated, hydrogen-bonding interactions between the chromophore and its intercalation site base-pairs. The cyclohexene ring and amino sugar substituent lie in the minor groove. The amino sugar N-3' forms a hydrogen bond with O-2 of the next neighbouring thymine. This electrostatic interaction helps position the sugar in a way that results in extensive van der Waals contacts between the drug and the DNA. There is no interaction between daunosamine and the DNA sugar-phosphate backbone. We present full experimental details and all relevant conformational parameters, and use the comparison with a d(CGTACG)-daunomycin complex to rationalize some neighbouring sequence effects involved in daunomycin binding.
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[[Category: Kennard O]]
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[[Category: Langlois D'Estaintot B]]
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==About this Structure==
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[[Category: Moore MH]]
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Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1DA0 OCA].
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==Reference==
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DNA-drug interactions. The crystal structure of d(CGATCG) complexed with daunomycin., Moore MH, Hunter WN, d'Estaintot BL, Kennard O, J Mol Biol. 1989 Apr 20;206(4):693-705. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/2738914 2738914]
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[[Category: Estaintot, B Langlois D.]]
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[[Category: Hunter, W N.]]
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[[Category: Kennard, O.]]
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[[Category: Moore, M H.]]
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[[Category: Complexed with drug]]
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[[Category: Double helix]]
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[[Category: Right handed dna]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 13:37:06 2008''
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Current revision

DNA-DRUG INTERACTIONS: THE CRYSTAL STRUCTURE OF D(CGATCG) COMPLEXED WITH DAUNOMYCIN

PDB ID 1da0

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