Barium in PDB 6rsp: L-[Ru(Phen)2(11-NO2-Dppz)]2+ Bound to the Oligonucleotide Sequence D(Tcggcgccga)

The structure of L-[Ru(Phen)2(11-NO2-Dppz)]2+ Bound to the Oligonucleotide Sequence D(Tcggcgccga), PDB code: 6rsp 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)	33.31 / 1.91
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	47.108, 47.108, 32.460, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 21.1

The structure of L-[Ru(Phen)2(11-NO2-Dppz)]2+ Bound to the Oligonucleotide Sequence D(Tcggcgccga) also contains other interesting chemical elements:

Ruthenium

(Ru)

4 atoms

The binding sites of Barium atom in the L-[Ru(Phen)2(11-NO2-Dppz)]2+ Bound to the Oligonucleotide Sequence D(Tcggcgccga) (pdb code 6rsp). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 2 binding sites of Barium where determined in the L-[Ru(Phen)2(11-NO2-Dppz)]2+ Bound to the Oligonucleotide Sequence D(Tcggcgccga), PDB code: 6rsp:
Jump to Barium binding site number: 1; 2;

Barium binding site 1 out of 2 in the L-[Ru(Phen)2(11-NO2-Dppz)]2+ Bound to the Oligonucleotide Sequence D(Tcggcgccga)


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of L-[Ru(Phen)2(11-NO2-Dppz)]2+ Bound to the Oligonucleotide Sequence D(Tcggcgccga) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba101 b:48.9 occ:1.00 O A:HOH210 2.5 44.6 1.0 O A:HOH203 2.5 51.5 1.0 O A:HOH201 2.6 50.7 1.0 O A:HOH208 2.6 51.5 1.0 O A:HOH220 2.7 57.2 1.0 O A:HOH209 2.7 65.1 1.0 O6 A:DG4 2.7 46.9 1.0 N7 A:DG3 2.8 47.4 1.0 N7 A:DG4 3.0 49.4 1.0 C6 A:DG4 3.5 46.6 1.0 C8 A:DG3 3.6 48.3 1.0 C5 A:DG4 3.6 48.1 1.0 C5 A:DG3 4.0 46.4 1.0 C8 A:DG4 4.2 48.9 1.0 O6 A:DG3 4.4 46.4 1.0 OP2 A:DG3 4.6 53.8 1.0 C6 A:DG3 4.6 44.4 1.0 O B:HOH217 4.8 38.5 1.0 O A:HOH205 4.8 63.5 1.0 N1 A:DG4 4.9 46.6 1.0 O B:HOH207 4.9 58.6 1.0 O6 B:DG6 4.9 48.5 1.0 N9 A:DG3 4.9 48.8 1.0 N4 B:DC7 4.9 46.6 1.0 C4 A:DG4 4.9 48.1 1.0

Barium binding site 2 out of 2 in the L-[Ru(Phen)2(11-NO2-Dppz)]2+ Bound to the Oligonucleotide Sequence D(Tcggcgccga)


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of L-[Ru(Phen)2(11-NO2-Dppz)]2+ Bound to the Oligonucleotide Sequence D(Tcggcgccga) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba101 b:48.5 occ:1.00 O B:HOH212 2.5 48.2 1.0 O B:HOH221 2.5 60.9 1.0 O B:HOH204 2.6 52.9 1.0 O B:HOH203 2.6 52.8 1.0 O B:HOH209 2.7 58.7 1.0 O6 B:DG4 2.8 46.5 1.0 O B:HOH214 2.8 67.4 1.0 N7 B:DG3 2.8 45.7 1.0 N7 B:DG4 3.0 49.4 1.0 C6 B:DG4 3.5 46.2 1.0 C8 B:DG3 3.6 47.5 1.0 C5 B:DG4 3.6 47.6 1.0 C5 B:DG3 4.0 44.9 1.0 C8 B:DG4 4.2 49.0 1.0 O6 B:DG3 4.3 45.5 1.0 C6 B:DG3 4.6 44.6 1.0 OP2 B:DG3 4.6 53.1 1.0 O B:HOH201 4.7 61.5 1.0 O A:HOH211 4.8 61.8 1.0 O A:HOH214 4.8 38.5 1.0 N1 B:DG4 4.9 45.5 1.0 N9 B:DG3 4.9 47.6 1.0 O6 A:DG6 4.9 46.6 1.0 N4 A:DC7 4.9 46.5 1.0 C4 B:DG4 5.0 48.9 1.0

K.T.Mcquaid, J.P.Hall, C.J.Cardin. L-[Ru(Phen)2(11-NO2-Dppz)]2+ Bound to the Oligonucleotide Sequence D(Tcggcgccga) To Be Published.