Barium in PDB 6gld: Intercalation of [Ru(Tap)2(11-Br-Dppz)]2+ Bound to D(Tcggcgccga)2

The structure of Intercalation of [Ru(Tap)2(11-Br-Dppz)]2+ Bound to D(Tcggcgccga)2, PDB code: 6gld was solved by K.T.Mcquaid, 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)	29.80 / 1.06
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.136, 42.136, 39.092, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 15.8

The structure of Intercalation of [Ru(Tap)2(11-Br-Dppz)]2+ Bound to D(Tcggcgccga)2 also contains other interesting chemical elements:

Ruthenium	(Ru)	2 atoms
Bromine	(Br)	2 atoms

The binding sites of Barium atom in the Intercalation of [Ru(Tap)2(11-Br-Dppz)]2+ Bound to D(Tcggcgccga)2 (pdb code 6gld). 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 Intercalation of [Ru(Tap)2(11-Br-Dppz)]2+ Bound to D(Tcggcgccga)2, PDB code: 6gld:

Barium binding site 1 out of 1 in the Intercalation of [Ru(Tap)2(11-Br-Dppz)]2+ Bound to D(Tcggcgccga)2


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Intercalation of [Ru(Tap)2(11-Br-Dppz)]2+ Bound to D(Tcggcgccga)2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba101 b:12.2 occ:1.00 O B:HOH268 2.8 19.6 1.0 O B:HOH241 2.8 24.8 1.0 O B:HOH214 2.8 13.2 1.0 O B:HOH231 2.8 14.2 1.0 O B:HOH223 2.8 14.7 1.0 O B:HOH222 2.8 13.6 1.0 O6 B:DG4 2.9 11.9 1.0 N7 B:DG3 3.0 10.6 1.0 N7 B:DG4 3.1 12.1 1.0 H8 B:DG3 3.5 12.9 1.0 C6 B:DG4 3.6 12.2 1.0 C8 B:DG3 3.6 10.8 1.0 C5 B:DG4 3.7 12.5 1.0 C5 B:DG3 4.1 10.1 1.0 C8 B:DG4 4.3 15.9 1.0 O6 B:DG3 4.5 12.4 1.0 H2' B:DC2 4.5 14.0 1.0 H8 B:DG4 4.6 19.1 1.0 OP2 B:DG3 4.7 12.9 1.0 C6 B:DG3 4.7 11.2 1.0 O B:HOH260 4.7 34.2 1.0 N1 B:DG4 4.9 11.1 1.0 N9 B:DG3 4.9 10.7 1.0 O B:HOH257 5.0 28.5 1.0 O B:HOH203 5.0 23.6 1.0 C4 B:DG4 5.0 11.8 1.0

K.Mcquaid, J.P.Hall, J.A.Brazier, D.J.Cardin, C.J.Cardin. X-Ray Crystal Structures Show Dna Stacking Advantage of Terminal Nitrile Substitution in Ru-Dppz Complexes. Chemistry V. 24 15859 2018.
ISSN: ISSN 0947-6539
PubMed: 30063271
DOI: 10.1002/CHEM.201803021