Barium in PDB 4mj9: Lambda-[Ru(Tap)2(Dppz-10-Me)]2+ Bound to A Synthetic Dna Oligomer

The structure of Lambda-[Ru(Tap)2(Dppz-10-Me)]2+ Bound to A Synthetic Dna Oligomer, PDB code: 4mj9 was solved by J.P.Hall, C.J.Cardin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.14 / 0.97
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.270, 42.270, 39.670, 90.00, 90.00, 90.00
R / Rfree (%)	8.6 / 9.6

The structure of Lambda-[Ru(Tap)2(Dppz-10-Me)]2+ Bound to A Synthetic Dna Oligomer also contains other interesting chemical elements:

Ruthenium	(Ru)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Barium atom in the Lambda-[Ru(Tap)2(Dppz-10-Me)]2+ Bound to A Synthetic Dna Oligomer (pdb code 4mj9). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total only one binding site of Barium was determined in the Lambda-[Ru(Tap)2(Dppz-10-Me)]2+ Bound to A Synthetic Dna Oligomer, PDB code: 4mj9:

Barium binding site 1 out of 1 in the Lambda-[Ru(Tap)2(Dppz-10-Me)]2+ Bound to A Synthetic Dna Oligomer


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Lambda-[Ru(Tap)2(Dppz-10-Me)]2+ Bound to A Synthetic Dna Oligomer within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba102 b:9.8 occ:1.00 O A:HOH203 2.8 11.7 1.0 O A:HOH206 2.8 19.4 1.0 O A:HOH201 2.8 11.8 1.0 O A:HOH209 2.8 19.9 1.0 O A:HOH202 2.8 11.1 1.0 O A:HOH219 2.8 13.5 1.0 O6 A:DG4 2.9 10.0 1.0 N7 A:DG3 3.0 9.3 1.0 N7 A:DG4 3.1 10.4 1.0 C6 A:DG4 3.6 9.4 1.0 H8 A:DG3 3.6 9.6 1.0 C8 A:DG3 3.6 9.5 1.0 C5 A:DG4 3.7 9.9 1.0 C5 A:DG3 4.1 9.5 1.0 C8 A:DG4 4.3 10.9 1.0 H2' A:DC2 4.4 11.2 1.0 O6 A:DG3 4.5 10.0 1.0 OP2 A:DG3 4.7 11.9 1.0 H8 A:DG4 4.7 10.9 1.0 C6 A:DG3 4.7 9.3 1.0 H34 A:2J0101 4.7 9.4 1.0 O A:HOH268 4.8 29.9 1.0 N1 A:DG4 4.9 9.7 1.0 O A:HOH277 4.9 13.2 0.5 N9 A:DG3 4.9 9.2 1.0

J.P.Hall, H.Beer, K.Buchner, D.J.Cardin, C.J.Cardin. Perferred Orientation in An Angled Intercalation Site of A Methyl-Substituted Lambda-[Ru(Tap)2(Dppz)]2+ Complex Bound to D(Tcggcgccga)2 To Be Published.