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1ssj

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[[Image:1ssj.gif|left|200px]]<br /><applet load="1ssj" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="1ssj" />
 
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'''A DNA DUPLEX CONTAINING A CHOLESTEROL ADDUCT (BETA-ANOMER)'''<br />
 
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==Overview==
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==A DNA DUPLEX CONTAINING A CHOLESTEROL ADDUCT (BETA-ANOMER)==
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The three-dimensional solution structure of two DNA decamers of sequence d(CCACXGGAAC)-(GTTCCGGTGG) with a modified nucleotide containing a cholesterol derivative (X) in its C1 '(chol)alpha or C1 '(chol)beta diastereoisomer form has been determined by using NMR and restrained molecular dynamics. This DNA derivative is recognized with high efficiency by the UvrB protein, which is part of the bacterial nucleotide excision repair, and the alpha anomer is repaired more efficiently than the beta one. The structures of the two decamers have been determined from accurate distance constraints obtained from a complete relaxation matrix analysis of the NOE intensities and torsion angle constraints derived from J-coupling constants. The structures have been refined with molecular dynamics methods, including explicit solvent and applying the particle mesh Ewald method to properly evaluate the long range electrostatic interactions. These calculations converge to well defined structures whose conformation is intermediate between the A- and B-DNA families as judged by the root mean square deviation but with sugar puckerings and groove shapes corresponding to a distorted B-conformation. Both duplex adducts exhibit intercalation of the cholesterol group from the major groove of the helix and displacement of the guanine base opposite the modified nucleotide. Based on these structures and molecular dynamics calculations, we propose a tentative model for the recognition of damaged DNA substrates by the UvrB protein.
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<StructureSection load='1ssj' size='340' side='right'caption='[[1ssj]]' scene=''>
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== Structural highlights ==
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==About this Structure==
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<table><tr><td colspan='2'>[[1ssj]] is a 2 chain structure. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1SSJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1SSJ FirstGlance]. <br>
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1SSJ 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://oca.weizmann.ac.il/oca-bin/ocashort?id=1SSJ 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=HOB:(3ALPHA,8ALPHA,14BETA,17ALPHA)-CHOLEST-5-EN-3-YL+{3-[(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)OXY]PROPYL}CARBAMATE'>HOB</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=1ssj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ssj OCA], [https://pdbe.org/1ssj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ssj RCSB], [https://www.ebi.ac.uk/pdbsum/1ssj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ssj ProSAT]</span></td></tr>
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Effect of bulky lesions on DNA: solution structure of a DNA duplex containing a cholesterol adduct., Gomez-Pinto I, Cubero E, Kalko SG, Monaco V, van der Marel G, van Boom JH, Orozco M, Gonzalez C, J Biol Chem. 2004 Jun 4;279(23):24552-60. Epub 2004 Mar 31. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15047709 15047709]
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</table>
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[[Category: Protein complex]]
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__TOC__
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[[Category: Boom, J H.van.]]
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</StructureSection>
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[[Category: Cubero, E.]]
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[[Category: Large Structures]]
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[[Category: Gomez-Pinto, I.]]
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[[Category: Cubero E]]
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[[Category: Gonzalez, C.]]
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[[Category: Gomez-Pinto I]]
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[[Category: Kalko, S G.]]
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[[Category: Gonzalez C]]
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[[Category: Marel, G van der.]]
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[[Category: Kalko SG]]
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[[Category: Monaco, V.]]
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[[Category: Monaco V]]
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[[Category: Orozco, M.]]
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[[Category: Orozco M]]
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[[Category: cholesterol adduct]]
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[[Category: Van Boom JH]]
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[[Category: dna lesion]]
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[[Category: Van der Marel G]]
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[[Category: double helix]]
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[[Category: modified dna]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:04:48 2008''
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Current revision

A DNA DUPLEX CONTAINING A CHOLESTEROL ADDUCT (BETA-ANOMER)

PDB ID 1ssj

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