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1lex

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[[Image:1lex.gif|left|200px]]<br /><applet load="1lex" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="1lex, resolution 2.250&Aring;" />
 
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'''STRUCTURE OF A DICATIONIC MONOIMIDAZOLE LEXITROPSIN BOUND TO DNA (ORIENTATION 1)'''<br />
 
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==Overview==
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==STRUCTURE OF A DICATIONIC MONOIMIDAZOLE LEXITROPSIN BOUND TO DNA (ORIENTATION 1)==
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An X-ray crystal structure has been solved of the complex of a dicationic lexitropsin with a B-DNA duplex of sequence CGCGAATTCGCG. The lexitropsin is identical to netropsin except for replacement of the first methylpyrrole ring by methylimidazole, converting a =CH- to =N-. Crystals are isomorphous with those of the DNA dodecamer in the absence of drug. Although the =N- for =CH- substitution was intended to make that locus on the drug molecule compatible with a G.C base pair, electrostatic attraction for the two cationic ends of the drug predominates, and this lexitropsin binds to the same central AATT site as does the parent netropsin. But unlike netropsin, this lexitropsin exhibits end-for-end disorder in the crystal. Both orientations were refined separately to completion. Final residual errors at 2.25 A resolution for the 2358 reflections above 2 sigma in F are R = 0.165 for one orientation (LexA) with 37 water molecules and 0.164 for the inverted drug orientation (LexB) with 40 water molecules. This molecular disorder is probably attributable to a weakening of binding to the AATT site occasioned by the imidazole-for-pyrrole substitution.
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<StructureSection load='1lex' size='340' side='right'caption='[[1lex]], [[Resolution|resolution]] 2.25&Aring;' scene=''>
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== Structural highlights ==
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==About this Structure==
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<table><tr><td colspan='2'>[[1lex]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LEX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1LEX FirstGlance]. <br>
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1LEX is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with <scene name='pdbligand=ILT:'>ILT</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LEX OCA].
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.25&#8491;</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=ILT:MONOIMIDAZOLE+LEXITROPSIN'>ILT</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=1lex FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1lex OCA], [https://pdbe.org/1lex PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1lex RCSB], [https://www.ebi.ac.uk/pdbsum/1lex PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1lex ProSAT]</span></td></tr>
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Structure of a dicationic monoimidazole lexitropsin bound to DNA., Goodsell DS, Ng HL, Kopka ML, Lown JW, Dickerson RE, Biochemistry. 1995 Dec 26;34(51):16654-61. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=8527438 8527438]
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</table>
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[[Category: Protein complex]]
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__TOC__
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[[Category: Dickerson, R E.]]
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</StructureSection>
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[[Category: Goodsell, D S.]]
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[[Category: Large Structures]]
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[[Category: Kopka, M L.]]
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[[Category: Dickerson RE]]
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[[Category: Lown, J W.]]
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[[Category: Goodsell DS]]
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[[Category: Ng, H L.]]
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[[Category: Kopka ML]]
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[[Category: ILT]]
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[[Category: Lown JW]]
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[[Category: b-dna]]
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[[Category: Ng HL]]
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[[Category: complexed with drug]]
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[[Category: double helix]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:44:20 2008''
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Current revision

STRUCTURE OF A DICATIONIC MONOIMIDAZOLE LEXITROPSIN BOUND TO DNA (ORIENTATION 1)

PDB ID 1lex

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