Barium in PDB 7otb: Ruthenium Polypridyl Complex Bound to A Unimolecular Chair-Form G- Quadruplex

The structure of Ruthenium Polypridyl Complex Bound to A Unimolecular Chair-Form G- Quadruplex, PDB code: 7otb was solved by K.T.Mcquaid, C.J.Cardin, J.P.Hall, N.G.Paterson, L.Baumgaertner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.29 / 1.60
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	29.68, 29.68, 113.98, 90, 90, 120
R / Rfree (%)	16.5 / 18.1

The structure of Ruthenium Polypridyl Complex Bound to A Unimolecular Chair-Form G- Quadruplex also contains other interesting chemical elements:

Ruthenium	(Ru)	1 atom
Potassium	(K)	4 atoms

The binding sites of Barium atom in the Ruthenium Polypridyl Complex Bound to A Unimolecular Chair-Form G- Quadruplex (pdb code 7otb). 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 Ruthenium Polypridyl Complex Bound to A Unimolecular Chair-Form G- Quadruplex, PDB code: 7otb:

Barium binding site 1 out of 1 in the Ruthenium Polypridyl Complex Bound to A Unimolecular Chair-Form G- Quadruplex


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Ruthenium Polypridyl Complex Bound to A Unimolecular Chair-Form G- Quadruplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba105 b:30.1 occ:0.52 O A:HOH258 2.3 38.0 1.0 O A:HOH256 2.5 37.6 1.0 O A:HOH222 2.7 35.8 1.0 O A:HOH297 2.8 51.8 1.0 O A:HOH244 3.1 43.4 1.0 O A:HOH306 4.0 53.2 1.0 H3' A:DG9 4.4 33.1 1.0 OP2 A:DA12 4.6 32.3 1.0 OP1 A:DG9 4.7 31.3 1.0 OP2 A:DG9 4.9 29.7 1.0

K.T.Mcquaid, S.Takahashi, L.Baumgaertner, D.J.Cardin, N.G.Paterson, J.P.Hall, N.Sugimoto, C.J.Cardin. Ruthenium Polypyridyl Complex Bound to A Unimolecular Chair-Form G-Quadruplex. J.Am.Chem.Soc. V. 144 5956 2022.
ISSN: ESSN 1520-5126
PubMed: 35324198
DOI: 10.1021/JACS.2C00178