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1l1h

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(New page: 200px<br /><applet load="1l1h" size="450" color="white" frame="true" align="right" spinBox="true" caption="1l1h, resolution 1.75&Aring;" /> '''Crystal Structure of...)
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[[Image:1l1h.gif|left|200px]]<br /><applet load="1l1h" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1l1h, resolution 1.75&Aring;" />
 
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'''Crystal Structure of the Quadruplex DNA-Drug Complex'''<br />
 
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==Overview==
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==Crystal Structure of the Quadruplex DNA-Drug Complex==
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Stabilisation of G-quadruplex structures formed from telomeric DNA, by, means of quadruplex-selective ligands, is a means of inhibiting the, telomerase enzyme from catalysing the synthesis of telomeric DNA repeats., In order to understand the molecular basis of ligand-quadruplex, recognition, the crystal structure has been determined of such a complex, at 1.75A resolution. This complex is between a dimeric antiparallel, G-quadruplex formed from the Oxytricha nova telomeric DNA sequence, d(GGGGTTTTGGGG), and a di-substituted aminoalkylamido acridine compound., The structure shows that the acridine moiety is bound at one end of the, stack of G-quartets, within one of the thymine loops. It is held in place, by a combination of stacking interactions and specific hydrogen bonds with, thymine bases. The stability of the ligand in this binding site has been, confirmed by a 2ns molecular dynamics simulation.
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<StructureSection load='1l1h' size='340' side='right'caption='[[1l1h]], [[Resolution|resolution]] 1.75&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1l1h]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1L1H OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1L1H FirstGlance]. <br>
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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]] 1.75&#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=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=PYN:3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-1-YL-PROPIONYLAMINO)-ACRIDIN-3-YL]-PROPIONAMIDE'>PYN</scene></td></tr>
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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=1l1h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1l1h OCA], [https://pdbe.org/1l1h PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1l1h RCSB], [https://www.ebi.ac.uk/pdbsum/1l1h PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1l1h ProSAT]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Stabilisation of G-quadruplex structures formed from telomeric DNA, by means of quadruplex-selective ligands, is a means of inhibiting the telomerase enzyme from catalysing the synthesis of telomeric DNA repeats. In order to understand the molecular basis of ligand-quadruplex recognition, the crystal structure has been determined of such a complex, at 1.75A resolution. This complex is between a dimeric antiparallel G-quadruplex formed from the Oxytricha nova telomeric DNA sequence d(GGGGTTTTGGGG), and a di-substituted aminoalkylamido acridine compound. The structure shows that the acridine moiety is bound at one end of the stack of G-quartets, within one of the thymine loops. It is held in place by a combination of stacking interactions and specific hydrogen bonds with thymine bases. The stability of the ligand in this binding site has been confirmed by a 2ns molecular dynamics simulation.
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==About this Structure==
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Structure of a G-quadruplex-ligand complex.,Haider SM, Parkinson GN, Neidle S J Mol Biol. 2003 Feb 7;326(1):117-25. PMID:12547195<ref>PMID:12547195</ref>
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1L1H is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with PYN and K as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1L1H OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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Structure of a G-quadruplex-ligand complex., Haider SM, Parkinson GN, Neidle S, J Mol Biol. 2003 Feb 7;326(1):117-25. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12547195 12547195]
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</div>
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[[Category: Protein complex]]
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<div class="pdbe-citations 1l1h" style="background-color:#fffaf0;"></div>
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[[Category: Haider, S.M.]]
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== References ==
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[[Category: Neidle, S.]]
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<references/>
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[[Category: Parkinson, G.N.]]
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__TOC__
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[[Category: K]]
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</StructureSection>
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[[Category: PYN]]
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[[Category: Large Structures]]
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[[Category: four-stranded dna]]
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[[Category: Haider SM]]
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[[Category: g-quadruplex]]
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[[Category: Neidle S]]
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[[Category: oxytricha]]
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[[Category: Parkinson GN]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sun Nov 25 02:18:29 2007''
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Current revision

Crystal Structure of the Quadruplex DNA-Drug Complex

PDB ID 1l1h

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