Barium in PDB 6hwg: [Ru(Phen)2(Dppz-11-Cn)]2+ Bound to D(Tcggcgccga)2

The structure of [Ru(Phen)2(Dppz-11-Cn)]2+ Bound to D(Tcggcgccga)2, PDB code: 6hwg 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)	33.90 / 1.74
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	47.936, 47.936, 33.632, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 20.6

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

Ruthenium

(Ru)

2 atoms

The binding sites of Barium atom in the [Ru(Phen)2(Dppz-11-Cn)]2+ Bound to D(Tcggcgccga)2 (pdb code 6hwg). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 2 binding sites of Barium where determined in the [Ru(Phen)2(Dppz-11-Cn)]2+ Bound to D(Tcggcgccga)2, PDB code: 6hwg:
Jump to Barium binding site number: 1; 2;

Barium binding site 1 out of 2 in the [Ru(Phen)2(Dppz-11-Cn)]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 [Ru(Phen)2(Dppz-11-Cn)]2+ Bound to D(Tcggcgccga)2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba101 b:31.5 occ:1.00 O A:HOH240 2.8 34.7 1.0 O A:HOH221 2.8 24.7 1.0 O A:HOH203 2.8 32.6 1.0 O A:HOH218 2.8 29.0 1.0 O6 A:DG4 2.9 36.5 1.0 O A:HOH235 2.9 43.4 1.0 O B:HOH213 2.9 31.8 1.0 N7 A:DG3 2.9 34.2 1.0 N7 A:DG4 3.0 29.5 1.0 C6 A:DG4 3.6 31.0 1.0 C5 A:DG4 3.6 29.2 1.0 C8 A:DG3 3.7 34.4 1.0 C5 A:DG3 4.1 29.6 1.0 C8 A:DG4 4.2 34.1 1.0 O6 A:DG3 4.3 30.6 1.0 C6 A:DG3 4.6 29.9 1.0 OP2 A:DG3 4.7 34.5 1.0 O6 B:DG6 4.9 29.3 1.0 N1 A:DG4 4.9 27.8 1.0 N4 B:DC7 4.9 28.2 1.0 C4 A:DG4 5.0 33.0 1.0 N9 A:DG3 5.0 30.5 1.0

Barium binding site 2 out of 2 in the [Ru(Phen)2(Dppz-11-Cn)]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 2 of [Ru(Phen)2(Dppz-11-Cn)]2+ Bound to D(Tcggcgccga)2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba101 b:31.2 occ:1.00 O B:HOH205 2.7 28.9 1.0 O B:HOH242 2.7 39.9 1.0 O B:HOH217 2.8 25.5 1.0 O6 B:DG4 2.9 34.7 1.0 N7 B:DG3 2.9 27.4 1.0 O B:HOH235 2.9 39.6 1.0 O B:HOH212 2.9 28.0 1.0 O A:HOH212 3.0 34.3 1.0 N7 B:DG4 3.0 33.6 1.0 C6 B:DG4 3.6 32.6 1.0 C8 B:DG3 3.6 27.7 1.0 C5 B:DG4 3.6 28.8 1.0 C5 B:DG3 4.0 27.6 1.0 C8 B:DG4 4.2 34.0 1.0 O6 B:DG3 4.3 28.2 1.0 C6 B:DG3 4.6 27.9 1.0 OP2 B:DG3 4.7 34.1 1.0 O6 A:DG6 4.9 29.6 1.0 N9 B:DG3 4.9 30.0 1.0 N4 A:DC7 4.9 30.9 1.0 N1 B:DG4 4.9 32.3 1.0 C4 B:DG4 5.0 27.9 1.0

K.T.Mcquaid, J.P.Hall, C.J.Cardin. [Ru(Phen)2(Dppz-11-Cn)]2+ Bound to D(Tcggcgccga)2 To Be Published.