Summary for 4JD8
| Entry DOI | 10.2210/pdb4jd8/pdb |
| Related | 4DX4 4E7Y 4E87 4E8S 4E8X 4E95 |
| Descriptor | DNA (5'-D(*AP*TP*GP*CP*AP*T)-3'), Delta-Ru(phen)2(dppz) complex, Lambda-Ru(phen)2(dppz) complex, ... (5 entities in total) |
| Functional Keywords | intercalation, racemic ligand-dna, dna |
| Total number of polymer chains | 2 |
| Total formula weight | 5143.11 |
| Authors | Cook, D.S.,Hall, J.P.,Cardin, C.J. (deposition date: 2013-02-24, release date: 2013-04-24, Last modification date: 2023-09-20) |
| Primary citation | Hall, J.P.,Cook, D.,Morte, S.R.,McIntyre, P.,Buchner, K.,Beer, H.,Cardin, D.J.,Brazier, J.A.,Winter, G.,Kelly, J.M.,Cardin, C.J. X-ray Crystal Structure of rac-[Ru(phen)2dppz](2+) with d(ATGCAT)2 Shows Enantiomer Orientations and Water Ordering. J.Am.Chem.Soc., 135:12652-12659, 2013 Cited by PubMed Abstract: 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 Λ and Δ 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 Δ-enantiomer only. PubMed: 23875832DOI: 10.1021/ja403590e PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.16 Å) |
Structure validation
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