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New page: left|200px<br /><applet load="1lex" size="450" color="white" frame="true" align="right" spinBox="true" caption="1lex, resolution 2.250Å" /> '''STRUCTURE OF A DICA...
 
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[[Image:1lex.gif|left|200px]]<br /><applet load="1lex" size="450" color="white" frame="true" align="right" spinBox="true"
caption="1lex, resolution 2.250&Aring;" />
'''STRUCTURE OF A DICATIONIC MONOIMIDAZOLE LEXITROPSIN BOUND TO DNA (ORIENTATION 1)'''<br />


==Overview==
==STRUCTURE OF A DICATIONIC MONOIMIDAZOLE LEXITROPSIN BOUND TO DNA (ORIENTATION 1)==
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.
<StructureSection load='1lex' size='340' side='right'caption='[[1lex]], [[Resolution|resolution]] 2.25&Aring;' scene=''>
 
== Structural highlights ==
==About this Structure==
<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>
1LEX is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with ILT as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1LEX OCA].  
</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>
 
<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>
==Reference==
<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>
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]
</table>
[[Category: Protein complex]]
__TOC__
[[Category: Dickerson, R.E.]]
</StructureSection>
[[Category: Goodsell, D.S.]]
[[Category: Large Structures]]
[[Category: Kopka, M.L.]]
[[Category: Dickerson RE]]
[[Category: Lown, J.W.]]
[[Category: Goodsell DS]]
[[Category: Ng, H.L.]]
[[Category: Kopka ML]]
[[Category: ILT]]
[[Category: Lown JW]]
[[Category: b-dna]]
[[Category: Ng HL]]
[[Category: complexed with drug]]
[[Category: double helix]]
 
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sun Nov 25 02:53:36 2007''

Latest revision as of 07:32, 14 February 2024

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

1lex, resolution 2.25Å

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