1ag5

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(New page: 200px<br /><applet load="1ag5" size="450" color="white" frame="true" align="right" spinBox="true" caption="1ag5" /> '''THE SOLUTION STRUCTURE OF AN AFLATOXIN B1 EP...)
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[[Image:1ag5.gif|left|200px]]<br /><applet load="1ag5" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1ag5" />
 
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'''THE SOLUTION STRUCTURE OF AN AFLATOXIN B1 EPOXIDE ADDUCT AT THE N7 POSITION OF GUANINE OPPOSITE AN ADENINE IN THE COMPLEMENTARY STRAND OF AN OLIGODEOXYNUCLEOTIDE DUPLEX, NMR, MINIMIZED AVERAGE STRUCTURE'''<br />
 
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==Overview==
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==THE SOLUTION STRUCTURE OF AN AFLATOXIN B1 EPOXIDE ADDUCT AT THE N7 POSITION OF GUANINE OPPOSITE AN ADENINE IN THE COMPLEMENTARY STRAND OF AN OLIGODEOXYNUCLEOTIDE DUPLEX, NMR, MINIMIZED AVERAGE STRUCTURE==
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The solution structure of d(CCATCAFBGATCC).d(GGATCAGATGG), containing the, 8,9-dihydro-8-(N7-guanyl)-9-hydroxyaflatoxin B1 adduct, was refined using, molecular dynamics restrained by NOE data obtained from 1H NMR. The, modified guanosine was positioned opposite cytosine, while the aflatoxin, moiety was positioned opposite adenosine in the complementary strand., Sequential 1H NOEs were interrupted between C5 and AFBG6, but intrastrand, NOEs were traced through the aflatoxin moiety, via H6a of aflatoxin and H8, of the modified guanine. Opposite the lesion, the NOE between A16 H1' and, G17 H8 was weak. A total of 43 NOEs were observed between DNA protons and, aflatoxin protons. Molecular dynamics calculations restrained with 259, experimental and empirical distances, and using sp2 hybridization at AFBG6, N7, refined structures with pairwise rms differences &lt; 0.85 A, excluding, terminal base pairs. Relaxation matrix calculations yielded a sixth root, rms difference between refined structures and NOE intensity data of 7.3 x, 10(-2). The aflatoxin moiety intercalated on the 5'-face of the modified, guanine. The extra adenine A16 was inserted between base pair AFBG6.C15, and the aflatoxin moiety. A 36 degree bending between the plane of base, pair AFBG6.C15 and the plane of the aflatoxin moiety was predicted. The, aflatoxin moiety stacked below the top domain of the oligodeoxynucleotide, which consisted of base pairs C1.G21, C2.G20, A3.T19, T4.A18, and C5.G17., The bottom domain consisted of base pairs AFBG6.C15, A7.T14, T8.A13, C9.G12, and C10.G11. The average winding angle between base pair C5.G17, the intercalated aflatoxin moiety, A16, and base pair AFBG6.C15 was, reduced to 10 degrees. The preponderance of base pair substitutions in the, aflatoxin B1 mutational spectrum, particularly G--&gt;T transversions, suggests that the stability of this modified oligodeoxynucleotide, which, models a templated +1 addition mutation, does not reliably predict the, frequency of frame shifts.
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<StructureSection load='1ag5' size='340' side='right'caption='[[1ag5]]' scene=''>
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== Structural highlights ==
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==About this Structure==
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<table><tr><td colspan='2'>[[1ag5]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Synthetic_construct Synthetic construct]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1AG5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1AG5 FirstGlance]. <br>
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1AG5 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1AG5 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=AFN:8,9-DIHYDRO-9-HYDROXY-AFLATOXIN+B1'>AFN</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=1ag5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ag5 OCA], [https://pdbe.org/1ag5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ag5 RCSB], [https://www.ebi.ac.uk/pdbsum/1ag5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ag5 ProSAT]</span></td></tr>
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Refined solution structure of 8,9-dihydro-8-(N7-guanyl)-9-hydroxyaflatoxin B1 opposite CpA in the complementary strand of an oligodeoxynucleotide duplex as determined by 1H NMR., Johnston DS, Stone MP, Biochemistry. 1995 Oct 31;34(43):14037-50. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=7578001 7578001]
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</table>
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[[Category: Protein complex]]
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__TOC__
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[[Category: Johnson, D.S.]]
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</StructureSection>
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[[Category: Stone, M.P.]]
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[[Category: Large Structures]]
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[[Category: aflatoxin b1]]
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[[Category: Synthetic construct]]
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[[Category: deoxyribonucleic acid]]
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[[Category: Johnson DS]]
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[[Category: dna duplex]]
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[[Category: Stone MP]]
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[[Category: intercalation]]
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[[Category: n7-guanine adduct]]
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[[Category: nmr]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sat Nov 24 22:48:44 2007''
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Current revision

THE SOLUTION STRUCTURE OF AN AFLATOXIN B1 EPOXIDE ADDUCT AT THE N7 POSITION OF GUANINE OPPOSITE AN ADENINE IN THE COMPLEMENTARY STRAND OF AN OLIGODEOXYNUCLEOTIDE DUPLEX, NMR, MINIMIZED AVERAGE STRUCTURE

PDB ID 1ag5

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