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[[Image:1ley.gif|left|200px]]


{{Structure
==STRUCTURE OF A DICATIONIC MONOIMIDAZOLE LEXITROPSIN BOUND TO DNA (ORIENTATION 2)==
|PDB= 1ley |SIZE=350|CAPTION= <scene name='initialview01'>1ley</scene>, resolution 2.250&Aring;
<StructureSection load='1ley' size='340' side='right'caption='[[1ley]], [[Resolution|resolution]] 2.25&Aring;' scene=''>
|SITE=
== Structural highlights ==
|LIGAND= <scene name='pdbligand=ILT:MONOIMIDAZOLE LEXITROPSIN'>ILT</scene>
<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>
|ACTIVITY=
</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>
|GENE=
<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>
 
</table>
'''STRUCTURE OF A DICATIONIC MONOIMIDAZOLE LEXITROPSIN BOUND TO DNA (ORIENTATION 2)'''
__TOC__
 
</StructureSection>
 
[[Category: Large Structures]]
==Overview==
[[Category: Dickerson RE]]
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.
[[Category: Goodsell DS]]
 
[[Category: Kopka ML]]
==About this Structure==
[[Category: Lown JW]]
1LEY is a [[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=1LEY OCA].  
[[Category: Ng HL]]
 
==Reference==
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://www.ncbi.nlm.nih.gov/pubmed/8527438 8527438]
[[Category: Protein complex]]
[[Category: Dickerson, R E.]]
[[Category: Goodsell, D S.]]
[[Category: Kopka, M L.]]
[[Category: Lown, J W.]]
[[Category: Ng, H L.]]
[[Category: ILT]]
[[Category: b-dna]]
[[Category: complexed with drug]]
[[Category: double helix]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:30:08 2008''

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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