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| - | [[Image:1d67.gif|left|200px]] | |
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| - | <!--
| + | ==THE MOLECULAR STRUCTURE OF AN IDARUBICIN-D(TGATCA) COMPLEX AT HIGH RESOLUTION== |
| - | The line below this paragraph, containing "STRUCTURE_1d67", creates the "Structure Box" on the page.
| + | <StructureSection load='1d67' size='340' side='right'caption='[[1d67]], [[Resolution|resolution]] 1.60Å' scene=''> |
| - | You may change the PDB parameter (which sets the PDB file loaded into the applet)
| + | == Structural highlights == |
| - | or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
| + | <table><tr><td colspan='2'>[[1d67]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1D67 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1D67 FirstGlance]. <br> |
| - | or leave the SCENE parameter empty for the default display.
| + | </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> |
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| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DM5:IDARUBICIN'>DM5</scene></td></tr> |
| - | {{STRUCTURE_1d67| PDB=1d67 | SCENE= }}
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1d67 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1d67 OCA], [https://pdbe.org/1d67 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1d67 RCSB], [https://www.ebi.ac.uk/pdbsum/1d67 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1d67 ProSAT]</span></td></tr> |
| - | | + | </table> |
| - | '''THE MOLECULAR STRUCTURE OF AN IDARUBICIN-D(TGATCA) COMPLEX AT HIGH RESOLUTION'''
| + | __TOC__ |
| - | | + | </StructureSection> |
| - | | + | [[Category: Large Structures]] |
| - | ==Overview==
| + | [[Category: Brown T]] |
| - | The crystal structure of the DNA hexamer d(TGATCA) complexed with the anthracycline antibiotic idarubicin has been determined at 1.6 A resolution. The asymmetric unit consists of a single hexamer oligonucleotide strand, one drug molecule and 35 water molecules. The complex crystallizes in the tetragonal space group P4(1)2(1)2, Z = 8 with lattice dimensions of a = b = 28.19 (3), c = 52.77 (4) A, V = 41 935 A(3). The structure is isomorphous with a series of hexamer-anthracycline complexes and was solved by molecular replacement. Restrained least-squares methods interspersed with computer-graphics map inspection and model manipulation were used to refine the structure. The R factor is 0.22 for 2032 reflections with F >/= 3sigma(F) in the resolution range 8.0-1.6 A. The self-complementary DNA forms a distorted B-DNA double helix with two idarubicin molecules intercalated in the d(TpG) steps of the duplex. The duplex is formed by utilization of a crystallographic twofold axis of symmetry. The idarubicin chromophore is oriented at right angles to the long axis of the DNA base pairs with the anthracycline amino-sugar moiety positioned in the minor groove. Our structure determination allows for comparison with a d(CGATCG)-idarubicin complex recently reported. Despite the sequence alteration at the intercalation step, the structures are very similar. The geometry of the intercalation and the nature of the interactions are conserved irrespective of the DNA sequence involved in the binding.
| + | [[Category: Gallois B]] |
| - | | + | [[Category: Hunter WN]] |
| - | ==About this Structure== | + | [[Category: Langlois D'Estaintot B]] |
| - | Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1D67 OCA]. | + | |
| - | | + | |
| - | ==Reference== | + | |
| - | The structure of an idarubicin-d(TGATCA) complex at high resolution., Gallois B, d'Estaintot BL, Brown T, Hunter WN, Acta Crystallogr D Biol Crystallogr. 1993 May 1;49(Pt 3):311-7. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15299520 15299520]
| + | |
| - | [[Category: Brown, T.]] | + | |
| - | [[Category: Estaintot, B Langlois D.]] | + | |
| - | [[Category: Gallois, B.]] | + | |
| - | [[Category: Hunter, W N.]] | + | |
| - | [[Category: Complexed with drug]] | + | |
| - | [[Category: Double helix]] | + | |
| - | [[Category: Right handed dna]] | + | |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 13:29:43 2008''
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