5mvb

Solution structure of a human G-Quadruplex hybrid-2 form in complex with a Gold-ligand.

spinqualitylabelsall models 5mvb Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 5mvb is a 1 chain structure with sequence from Homo sapiens. Full experimental information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: Solution NMR Ligands: AUZ, K Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed Telomeric G-quadruplexes have recently emerged as drug targets in cancer research. Herein, we present the first NMR structure of a telomeric DNA G-quadruplex that adopts the biologically relevant hybrid-2 conformation in a ligand-bound state. We solved the complex with a metalorganic gold(III) ligand that stabilizes G-quadruplexes. Analysis of the free and bound structures reveals structural changes in the capping region of the G-quadruplex. The ligand is sandwiched between one terminal G-tetrad and a flanking nucleotide. This complex structure involves a major structural rearrangement compared to the free G-quadruplex structure as observed for other G-quadruplexes in different conformations, invalidating simple docking approaches to ligand-G-quadruplex structure determination. Solution NMR Structure of a Ligand/Hybrid-2-G-Quadruplex Complex Reveals Rearrangements that Affect Ligand Binding.,Wirmer-Bartoschek J, Bendel LE, Jonker HRA, Grun JT, Papi F, Bazzicalupi C, Messori L, Gratteri P, Schwalbe H Angew Chem Int Ed Engl. 2017 Jun 12;56(25):7102-7106. doi:, 10.1002/anie.201702135. Epub 2017 May 19. PMID:28524432 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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