Barium in PDB 5lfs: Lambda-[Ru(Bpy)2(Dppz)]2+ Bound to Brominated Dna

The structure of Lambda-[Ru(Bpy)2(Dppz)]2+ Bound to Brominated Dna, PDB code: 5lfs 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)	21.90 / 1.85
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.900, 66.900, 36.020, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 19.2

The structure of Lambda-[Ru(Bpy)2(Dppz)]2+ Bound to Brominated Dna also contains other interesting chemical elements:

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

The binding sites of Barium atom in the Lambda-[Ru(Bpy)2(Dppz)]2+ Bound to Brominated Dna (pdb code 5lfs). 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(Bpy)2(Dppz)]2+ Bound to Brominated Dna, PDB code: 5lfs:

Barium binding site 1 out of 1 in the Lambda-[Ru(Bpy)2(Dppz)]2+ Bound to Brominated Dna


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Lambda-[Ru(Bpy)2(Dppz)]2+ Bound to Brominated Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba101 b:78.7 occ:0.46 O A:HOH210 2.7 71.0 1.0 O6 A:DG1 2.9 36.7 1.0 O C:HOH215 3.2 52.8 1.0 N7 A:DG1 3.3 40.2 1.0 C6 A:DG1 3.7 34.7 1.0 C5 A:DG1 3.9 35.0 1.0 C8 A:DG1 4.5 40.0 1.0 O A:HOH208 4.9 39.8 1.0 N4 C:DC4 4.9 36.1 1.0

J.P.Hall, S.P.Gurung, J.Henle, P.Poidl, J.Andersson, P.Lincoln, G.Winter, T.Sorensen, D.J.Cardin, J.A.Brazier, C.J.Cardin. Guanine Can Direct Binding Specificity of Ru-Dipyridophenazine (Dppz) Complexes to Dna Through Steric Effects. Chemistry V. 23 4981 2017.
ISSN: ISSN 1521-3765
PubMed: 28105682
DOI: 10.1002/CHEM.201605508