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193d

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(New page: 200px<br /><applet load="193d" size="450" color="white" frame="true" align="right" spinBox="true" caption="193d" /> '''SOLUTION STRUCTURE OF A QUINOMYCIN BISINTERC...)
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[[Image:193d.gif|left|200px]]<br /><applet load="193d" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="193d" />
 
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'''SOLUTION STRUCTURE OF A QUINOMYCIN BISINTERCALATOR-DNA COMPLEX'''<br />
 
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==Overview==
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==SOLUTION STRUCTURE OF A QUINOMYCIN BISINTERCALATOR-DNA COMPLEX==
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The quinomycin antibiotic UK-63052 (designated QN) exhibits a chemical, structure related to the antibiotic echinomycin which is known to, bisintercalate into DNA. Common features among these antibiotics include, two heterocyclic aromatic ring systems propagating from a cross-bridged, cyclic octadepsipeptide scaffold. We report on the solution structure of, the QN-d(A1-C2-A3-C4-G5-T6-G7-T8) complex (one QN molecule per duplex), based on a combined NMR-molecular dynamics study including intensity-based, refinement. The 3-hydroxy quinaldic acid rings bisintercalate into the, duplex at (A3-C4).(G5-T6) steps and stack with flanking Watson-Crick A3.T6, and C4.G5 base-pairs. The intercalation sites at (A3-C4).(G5-T6) steps are, wedge-shaped and unwound, with significant unwinding also observed at the, (C4-C5).(C4-G5) step bracketed between the intercalation sites. The, cross-bridged cyclic octadepsipeptide is positioned in the minor groove, with the methyl groups on its Ala and NMe-MCp residues directed towards, and making van der Waals contacts with the minor groove edge of the, duplex. A pair of adjacent intermolecular hydrogen bonds between the Ala, backbone atoms and the G5 minor groove edge (Ala-NH to G5-N(3) and G5-NH2e, to Ala-CO) account for the sequence specificity associated with complex, formation. The solution structure of the QN-DNA oligomer complex, which, contains only Watson-Crick base-pairs flanking the bisintercalation site, is compared with the crystal structure of the related echinomycin-DNA, oligomer complex, which contains Hoogsteen base-pairs on either side of, the bisintercalation site.
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<StructureSection load='193d' size='340' side='right'caption='[[193d]]' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[193d]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces Streptomyces]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=193D OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=193D FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CPC:2-METHYL-1-METHYLAMINO-CYCLOPROPANE+CARBOXYLIC+ACID'>CPC</scene>, <scene name='pdbligand=DSN:D-SERINE'>DSN</scene>, <scene name='pdbligand=HQU:3-HYDROXYQUINALDIC+ACID'>HQU</scene>, <scene name='pdbligand=NCY:N-METHYLCYSTEINE'>NCY</scene>, <scene name='pdbligand=NYB:N-METHYL-S-[(1R)-1-METHYLPROPYL]-L-CYSTEINE'>NYB</scene></td></tr>
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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=193d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=193d OCA], [https://pdbe.org/193d PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=193d RCSB], [https://www.ebi.ac.uk/pdbsum/193d PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=193d ProSAT]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The quinomycin antibiotic UK-63052 (designated QN) exhibits a chemical structure related to the antibiotic echinomycin which is known to bisintercalate into DNA. Common features among these antibiotics include two heterocyclic aromatic ring systems propagating from a cross-bridged cyclic octadepsipeptide scaffold. We report on the solution structure of the QN-d(A1-C2-A3-C4-G5-T6-G7-T8) complex (one QN molecule per duplex) based on a combined NMR-molecular dynamics study including intensity-based refinement. The 3-hydroxy quinaldic acid rings bisintercalate into the duplex at (A3-C4).(G5-T6) steps and stack with flanking Watson-Crick A3.T6 and C4.G5 base-pairs. The intercalation sites at (A3-C4).(G5-T6) steps are wedge-shaped and unwound, with significant unwinding also observed at the (C4-C5).(C4-G5) step bracketed between the intercalation sites. The cross-bridged cyclic octadepsipeptide is positioned in the minor groove with the methyl groups on its Ala and NMe-MCp residues directed towards and making van der Waals contacts with the minor groove edge of the duplex. A pair of adjacent intermolecular hydrogen bonds between the Ala backbone atoms and the G5 minor groove edge (Ala-NH to G5-N(3) and G5-NH2e to Ala-CO) account for the sequence specificity associated with complex formation. The solution structure of the QN-DNA oligomer complex, which contains only Watson-Crick base-pairs flanking the bisintercalation site, is compared with the crystal structure of the related echinomycin-DNA oligomer complex, which contains Hoogsteen base-pairs on either side of the bisintercalation site.
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==About this Structure==
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Solution structure of a quinomycin bisintercalator-DNA complex.,Chen H, Patel DJ J Mol Biol. 1995 Feb 10;246(1):164-79. PMID:7853395<ref>PMID:7853395</ref>
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193D is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with CH3 and NBU as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=193D OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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Solution structure of a quinomycin bisintercalator-DNA complex., Chen H, Patel DJ, J Mol Biol. 1995 Feb 10;246(1):164-79. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=7853395 7853395]
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</div>
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[[Category: Protein complex]]
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<div class="pdbe-citations 193d" style="background-color:#fffaf0;"></div>
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[[Category: Chen, H.]]
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== References ==
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[[Category: Patel, D.J.]]
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<references/>
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[[Category: CH3]]
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__TOC__
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[[Category: NBU]]
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</StructureSection>
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[[Category: dna]]
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[[Category: Large Structures]]
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[[Category: double helix]]
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[[Category: Streptomyces]]
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[[Category: nmr]]
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[[Category: Chen H]]
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[[Category: quinomycin]]
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[[Category: Patel DJ]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sat Nov 24 22:12:08 2007''
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SOLUTION STRUCTURE OF A QUINOMYCIN BISINTERCALATOR-DNA COMPLEX

PDB ID 193d

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