3qsc

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

spinqualitylabelsall models 3qsc, resolution 2.40Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3qsc is a 1 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.4Å Ligands: BRU, CUF, K Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed 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. 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 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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