1da0

<StructureSection load='1da0' size='340' side='right' caption='[[1da0]], [[Resolution|resolution]] 1.50&Aring;' scene=''>

<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 [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1DA0 FirstGlance]. <br>

</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DM1:DAUNOMYCIN'>DM1</scene></td></tr>

<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1da0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1da0 OCA], [http://pdbe.org/1da0 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1da0 RCSB], [http://www.ebi.ac.uk/pdbsum/1da0 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1da0 ProSAT]</span></td></tr>

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== Publication Abstract from PubMed ==

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.

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:2738914<ref>PMID:2738914</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>

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<div class="pdbe-citations 1da0" style="background-color:#fffaf0;"></div>

== References ==

<references/>

[[Category: Estaintot, B Langlois D]]

[[Category: Hunter, W N]]

[[Category: Kennard, O]]

[[Category: Moore, M H]]

[[Category: Complexed with drug]]

[[Category: Right handed dna]]