3ce5

A bimolecular parallel-stranded human telomeric quadruplex in complex with a 3,6,9-trisubstituted acridine molecule BRACO19

spinqualitylabelsall models 3ce5, resolution 2.50Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3ce5 is a 2 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: BRA, K Related: 1k8p Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed The crystal structure of a complex between the bimolecular human telomeric quadruplex d(TAGGGTTAGGGT)2 and the experimental anticancer drug BRACO-19, has been determined, to 2.5 A resolution. The binding site for the BRACO-19 molecule is at the interface of two parallel-folded quadruplexes, sandwiched between a G-tetrad surface and a TATA tetrad, and held in the site by networks of water molecules. The structure rationalizes the existing structure-activity data and provides a starting-point for the structure-based design of quadruplex-binding ligands Structural basis of DNA quadruplex recognition by an acridine drug.,Campbell NH, Parkinson GN, Reszka AP, Neidle S J Am Chem Soc. 2008 May 28;130(21):6722-4. Epub 2008 May 6. PMID:18457389 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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