1ley: Difference between revisions

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== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[1ley]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LEY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1LEY FirstGlance]. <br>
<table><tr><td colspan='2'>[[1ley]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1LEY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1LEY FirstGlance]. <br>
</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>
</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>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1ley FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ley OCA], [https://pdbe.org/1ley PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ley RCSB], [https://www.ebi.ac.uk/pdbsum/1ley PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ley ProSAT]</span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1ley FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ley OCA], [https://pdbe.org/1ley PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ley RCSB], [https://www.ebi.ac.uk/pdbsum/1ley PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ley ProSAT]</span></td></tr>
</table>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
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.
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:8527438<ref>PMID:8527438</ref>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 1ley" style="background-color:#fffaf0;"></div>
== References ==
<references/>
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__TOC__
</StructureSection>
</StructureSection>

Latest revision as of 10:32, 14 February 2024

STRUCTURE OF A DICATIONIC MONOIMIDAZOLE LEXITROPSIN BOUND TO DNA (ORIENTATION 2)STRUCTURE OF A DICATIONIC MONOIMIDAZOLE LEXITROPSIN BOUND TO DNA (ORIENTATION 2)

Structural highlights

1ley is a 2 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.25Å
Ligands:
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

1ley, resolution 2.25Å

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