2neo | pdb_00002neo

SOLUTION NMR STRUCTURE OF A TWO-BASE DNA BULGE COMPLEXED WITH AN ENEDIYNE CLEAVING ANALOG, 11 STRUCTURES

spinqualitylabelsall models 2neo, 11 NMR models Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 2neo is a 1 chain structure. This structure supersedes the now removed PDB entry 1neo. Full experimental information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: NCS NonStd Res: PGE Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed Nucleic acid bulges have been implicated in a number of biological processes and are specific cleavage targets for the enediyne antitumor antibiotic neocarzinostatin chromophore in a base-catalyzed, radical-mediated reaction. The solution structure of the complex between an analog of the bulge-specific cleaving species and an oligodeoxynucleotide containing a two-base bulge was elucidated by nuclear magnetic resonance. An unusual binding mode involves major groove recognition by the drug carbohydrate unit and tight fitting of the wedge-shaped drug in the triangular prism pocket formed by the two looped-out bulge bases and the neighboring base pairs. The two drug rings mimic helical DNA bases, complementing the bent DNA structure. The putative abstracting drug radical is 2.2 +/- 0.1 angstroms from the pro-S H5' of the target bulge nucleotide. This structure clarifies the mechanism of bulge recognition and cleavage by a drug and provides insight into the design of bulge-specific nucleic acid binding molecules. Solution structure of a two-base DNA bulge complexed with an enediyne cleaving analog.,Stassinopoulos A, Ji J, Gao X, Goldberg IH Science. 1996 Jun 28;272(5270):1943-6. PMID:8658168 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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