4III
Lambda-[Ru(TAP)2(11-Cl-dppz)] with a DNA decamer at atomic resolution
Summary for 4III
| Entry DOI | 10.2210/pdb4iii/pdb |
| Descriptor | 5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3', BARIUM ION, Ru(TAP)2(Cl-dppz) complex, ... (4 entities in total) |
| Functional Keywords | duplex, ruthenium, dna |
| Total number of polymer chains | 1 |
| Total formula weight | 3965.50 |
| Authors | Hall, J.P.,Cardin, C.J. (deposition date: 2012-12-20, release date: 2013-07-17, Last modification date: 2023-11-08) |
| Primary citation | Hall, J.P.,Beer, H.,Buchner, K.,Cardin, D.J.,Cardin, C.J. Preferred orientation in an angled intercalation site of a chloro-substituted Lambda-[Ru(TAP)2(dppz)]2+ complex bound to d(TCGGCGCCGA)2. Philos Trans A Math Phys Eng Sci, 371:20120525-20120525, 2013 Cited by PubMed Abstract: The crystal structure of the ruthenium DNA 'light-switch' complex Λ-[Ru(TAP)2(11-Cl-dppz)](2+) (TAP=tetraazaphenanthrene, dppz=dipyrido[3,2-a':2',3'-c]phenazine) bound to the oligonucleotide duplex d(TCGGCGCCGA)2 is reported. The synthesis of the racemic ruthenium complex is described for the first time, and the racemate was used in this study. The crystal structure, at atomic resolution (1.0 Å), shows one ligand as a wedge in the minor groove, resulting in the 51(°) kinking of the double helix, as with the parent Λ-[Ru(TAP)2(dppz)](2+). Each complex binds to one duplex by intercalation of the dppz ligand and also by semi-intercalation of one of the orthogonal TAP ligands into a second symmetrically equivalent duplex. The 11-chloro substituent binds with the major component (66%) oriented with the 11-chloro substituent on the purine side of the terminal step of the duplex. PubMed: 23776304DOI: 10.1098/rsta.2012.0525 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.02 Å) |
Structure validation
Download full validation report
