Barium in PDB 4ymc: Lambda-[Ru(Tap)2(Dppz)]2+ Bound to D(Ccggatccgg)2

The structure of Lambda-[Ru(Tap)2(Dppz)]2+ Bound to D(Ccggatccgg)2, PDB code: 4ymc was solved by S.P.Gurung, 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)	33.83 / 1.88
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	47.380, 47.380, 33.830, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 25.7

The structure of Lambda-[Ru(Tap)2(Dppz)]2+ Bound to D(Ccggatccgg)2 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)]2+ Bound to D(Ccggatccgg)2 (pdb code 4ymc). 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)]2+ Bound to D(Ccggatccgg)2, PDB code: 4ymc:

Barium binding site 1 out of 1 in the Lambda-[Ru(Tap)2(Dppz)]2+ Bound to D(Ccggatccgg)2


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)]2+ Bound to D(Ccggatccgg)2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba101 b:46.5 occ:1.00 O A:HOH219 2.3 53.7 1.0 O A:HOH204 2.8 35.1 1.0 O6 A:DG4 2.8 45.6 1.0 O A:HOH208 2.8 50.0 1.0 O A:HOH210 2.9 59.3 1.0 O A:HOH202 3.0 44.3 1.0 N7 A:DG3 3.1 34.0 1.0 N7 A:DG4 3.1 42.6 1.0 C6 A:DG4 3.5 38.7 1.0 C5 A:DG4 3.6 37.7 1.0 C8 A:DG3 3.8 38.2 1.0 C5 A:DG3 4.2 33.5 1.0 C8 A:DG4 4.3 40.9 1.0 O6 A:DG3 4.4 35.0 1.0 OP2 A:DG3 4.6 44.7 1.0 C6 A:DG3 4.7 31.8 1.0 N1 A:DG4 4.9 40.9 1.0 C4 A:DG4 5.0 38.7 1.0

P.M.Keane, S.P.Gurung, H.Niyazi, F.E.Poynton, J.P.Hall, I.V.Sazanovich, M.Towrie, S.Teixeira, E.Mitchell, T.Forsyth, T.Gunnlaugsson, S.J.Quinn, C.J.Cardin, J.M.Kelly. Reversal of A Single Base Pair Step Controls Guanine Photo-Oxidation By An Intercalating Ru(II) Dipyridophenazine Complex. To Be Published.