Barium in PDB 4e8s: Lambda-[Ru(Tap)2(Dppz{ME2}2)]2+ Bound to Tcggcgccga at High Resolution

The structure of Lambda-[Ru(Tap)2(Dppz{ME2}2)]2+ Bound to Tcggcgccga at High Resolution, PDB code: 4e8s 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)	29.98 / 1.24
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.400, 42.400, 39.670, 90.00, 90.00, 90.00
R / Rfree (%)	10.3 / 12.9

The structure of Lambda-[Ru(Tap)2(Dppz{ME2}2)]2+ Bound to Tcggcgccga at High Resolution 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{ME2}2)]2+ Bound to Tcggcgccga at High Resolution (pdb code 4e8s). 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{ME2}2)]2+ Bound to Tcggcgccga at High Resolution, PDB code: 4e8s:

Barium binding site 1 out of 1 in the Lambda-[Ru(Tap)2(Dppz{ME2}2)]2+ Bound to Tcggcgccga at High Resolution


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{ME2}2)]2+ Bound to Tcggcgccga at High Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba101 b:11.2 occ:1.00 O A:HOH236 2.8 12.6 1.0 O A:HOH231 2.8 23.6 1.0 O A:HOH203 2.8 26.7 1.0 O A:HOH224 2.8 14.1 1.0 O A:HOH201 2.8 13.9 1.0 O A:HOH202 2.9 12.8 1.0 O6 A:DG4 2.9 10.6 1.0 N7 A:DG3 3.0 9.7 1.0 N7 A:DG4 3.1 10.7 1.0 C6 A:DG4 3.5 9.9 1.0 C5 A:DG4 3.6 11.6 1.0 C8 A:DG3 3.7 10.1 1.0 C5 A:DG3 4.2 9.9 1.0 C8 A:DG4 4.3 11.3 1.0 O6 A:DG3 4.5 10.4 1.0 O A:HOH291 4.5 29.5 0.5 OP2 A:DG3 4.7 13.1 1.0 O A:HOH238 4.7 29.3 1.0 C6 A:DG3 4.7 10.2 1.0 O A:HOH251 4.7 38.6 1.0 O A:HOH292 4.9 28.4 0.5 N1 A:DG4 4.9 10.0 1.0 N9 A:DG3 5.0 9.8 1.0 C4 A:DG4 5.0 11.1 1.0 O A:HOH207 5.0 23.5 1.0

J.P.Hall, H.Beer, K.Buchner, D.J.Cardin, C.J.Cardin. The Structural Effect of Methyl Substitution on the Binding of Polypyridyl Ru Dppz Complexes to Dna Organometallics 2015.
ISSN: ISSN 0276-7333
DOI: 10.1021/OM501208X