107d

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(New page: 200px<br /> <applet load="107d" size="450" color="white" frame="true" align="right" spinBox="true" caption="107d" /> '''SOLUTION STRUCTURE OF THE COVALENT DUOCARMY...)
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[[Image:107d.gif|left|200px]]<br />
 
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<applet load="107d" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="107d" />
 
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'''SOLUTION STRUCTURE OF THE COVALENT DUOCARMYCIN A-DNA DUPLEX COMPLEX'''<br />
 
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==Overview==
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==SOLUTION STRUCTURE OF THE COVALENT DUOCARMYCIN A-DNA DUPLEX COMPLEX==
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Duocarmycin A is an antitumour antibiotic that binds covalently to the, minor groove N-3 position of adenine with sequence specificity for the, 3'-adenine in a d(A-A-A-A) tract in duplex DNA. The adenine ring becomes, protonated on duocarmycin adduct formation resulting in charge, delocalization over the purine ring system. We report on the solution, structure of duocarmycin A bound site specifically to A12 (designated, *A12+) in the sequence context d(T3-T4-T5-T6).d(A9-A10-A11-*A12+) within a, hairpin duplex. The solution structure was solved based on a combined, NMR-molecular dynamics study including NOE based intensity refinement. The, A and B-rings of duocarmycin are positioned deep within the walls of the, minor groove with the B-ring (which is furthest from the covalent linkage, ... [[http://ispc.weizmann.ac.il/pmbin/getpm?7731041 (full description)]]
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<StructureSection load='107d' size='340' side='right'caption='[[107d]]' scene=''>
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== Structural highlights ==
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==About this Structure==
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<table><tr><td colspan='2'>[[107d]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=107D OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=107D FirstGlance]. <br>
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107D is a [[http://en.wikipedia.org/wiki/Protein_complex Protein complex]] structure of sequences from [[http://en.wikipedia.org/wiki/ ]] with DUO as [[http://en.wikipedia.org/wiki/ligand ligand]]. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id= OCA]].
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</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=DUO:4-HYDROXY-2,8-DIMETHYL-1-OXO-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-1,2,3,6,7,8-HEXAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC+ACID+METHYL+ESTER'>DUO</scene></td></tr>
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==Reference==
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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=107d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=107d OCA], [https://pdbe.org/107d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=107d RCSB], [https://www.ebi.ac.uk/pdbsum/107d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=107d ProSAT]</span></td></tr>
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Solution structure of the covalent duocarmycin A-DNA duplex complex., Lin CH, Patel DJ, J Mol Biol. 1995 Apr 21;248(1):162-79. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=7731041 7731041]
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</table>
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[[Category: Protein complex]]
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__TOC__
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[[Category: Lin, C.H.]]
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</StructureSection>
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[[Category: Patel, D.J.]]
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[[Category: Large Structures]]
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[[Category: DUO]]
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[[Category: Lin CH]]
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[[Category: dna]]
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[[Category: Patel DJ]]
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[[Category: double helix]]
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[[Category: nmr]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Oct 29 15:38:29 2007''
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SOLUTION STRUCTURE OF THE COVALENT DUOCARMYCIN A-DNA DUPLEX COMPLEX

PDB ID 107d

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