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3qsf

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==The first crystal structure of a human telomeric G-quadruplex DNA bound to a metal-containing ligand (a nickel complex)==
==The first crystal structure of a human telomeric G-quadruplex DNA bound to a metal-containing ligand (a nickel complex)==
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<StructureSection load='3qsf' size='340' side='right' caption='[[3qsf]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
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<StructureSection load='3qsf' size='340' side='right'caption='[[3qsf]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3qsf]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QSF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3QSF FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3qsf]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3QSF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3QSF FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=NUF:[2,2-{(4,5-DIFLUOROBENZENE-1,2-DIYL)BIS[(NITRILO-KAPPAN)METHYLYLIDENE]}BIS{5-[2-(PIPERIDIN-1-YL)ETHOXY]PHENOLATO-KAPPAO}(2-)]NICKEL+(II)'>NUF</scene><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]] 2.4&#8491;</td></tr>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3qsc|3qsc]], [[3ce5|3ce5]], [[3cco|3cco]], [[3cdm|3cdm]], [[1kf1|1kf1]], [[1k8p|1k8p]], [[2hri|2hri]]</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=NUF:[2,2-{(4,5-DIFLUOROBENZENE-1,2-DIYL)BIS[(NITRILO-KAPPAN)METHYLYLIDENE]}BIS{5-[2-(PIPERIDIN-1-YL)ETHOXY]PHENOLATO-KAPPAO}(2-)]NICKEL+(II)'>NUF</scene></td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3qsf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qsf OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3qsf RCSB], [http://www.ebi.ac.uk/pdbsum/3qsf PDBsum]</span></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=3qsf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3qsf OCA], [https://pdbe.org/3qsf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3qsf RCSB], [https://www.ebi.ac.uk/pdbsum/3qsf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3qsf ProSAT]</span></td></tr>
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<table>
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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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The first X-ray crystal structures of nickel(II) and copper(II) salphen metal complexes bound to a quadruplex DNA are presented. Two structures have been determined and show that these salphen-metal complexes bind to human telomeric quadruplexes by end-stacking, with the metal in each case almost in line with the potassium ion channel. Quadruplex and duplex DNA binding is presented for these two and other related salphen complexes, all with side-chains terminating in pyrrolidino end-groups and differing patterns of substitution on the salphen core. The crystal structures are able to provide rationalizations for the structure-activity data, and in particular for the superior quadruplex-binding of the nickel complexes compared to the copper-containing ones. The complexes show significant anti-proliferative activity for the compounds in a panel of cancer cell lines. They also show telomerase inhibitory activity in the telomerase TRAP-LIG assay.
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Molecular basis of structure-activity relationships between salphen metal complexes and human telomeric DNA quadruplexes.,Campbell NH, Karim N, Parkinson GN, Gunaratnam M, Petrucci V, Todd AK, Vilar R, Neidle S J Med Chem. 2011 Nov 24. PMID:22112241<ref>PMID:22112241</ref>
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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</div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Campbell, N H.]]
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[[Category: Large Structures]]
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[[Category: Karim, N H.Abd.]]
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[[Category: Abd Karim NH]]
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[[Category: Neidle, S.]]
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[[Category: Campbell NH]]
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[[Category: Parkinson, G N.]]
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[[Category: Neidle S]]
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[[Category: Vilar, R.]]
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[[Category: Parkinson GN]]
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[[Category: Dna]]
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[[Category: Vilar R]]
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[[Category: Drug]]
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[[Category: Metal complex]]
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[[Category: Nickel]]
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[[Category: Parallel]]
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[[Category: Telomere]]
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Current revision

The first crystal structure of a human telomeric G-quadruplex DNA bound to a metal-containing ligand (a nickel complex)

PDB ID 3qsf

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