4jd8 | pdb_00004jd8

Racemic-[Ru(phen)2(dppz)]2+] bound to synthetic DNA at high resolution

spinqualitylabelsall models 4jd8, resolution 1.16Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4jd8 is a 2 chain structure. This structure supersedes the now removed PDB entry 4e87. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 0TN, K, RKP Related: 4dx4, 4e7y, 4e87, 4e8s, 4e8x, 4e95 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed We report an atomic resolution X-ray crystal structure containing both enantiomers of rac-[Ru(phen)2dppz](2+) with the d(ATGCAT)2 DNA duplex (phen = phenanthroline; dppz = dipyridophenazine). The first example of any enantiomeric pair crystallized with a DNA duplex shows different orientations of the Lambda and Delta binding sites, separated by a clearly defined structured water monolayer. Job plots show that the same species is present in solution. Each enantiomer is bound at a TG/CA step and shows intercalation from the minor groove. One water molecule is directly located on one phenazine N atom in the Delta-enantiomer only. X-ray Crystal Structure of rac-[Ru(phen)2dppz](2+) with d(ATGCAT)2 Shows Enantiomer Orientations and Water Ordering.,Hall JP, Cook D, Morte SR, McIntyre P, Buchner K, Beer H, Cardin DJ, Brazier JA, Winter G, Kelly JM, Cardin CJ J Am Chem Soc. 2013 Aug 28;135(34):12652-9. doi: 10.1021/ja403590e. Epub 2013 Aug, 14. PMID:23875832 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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