Barium in PDB 6tzr: A Dna G-Quadruplex/I-Motif Hybrid

The structure of A Dna G-Quadruplex/I-Motif Hybrid, PDB code: 6tzr was solved by B.Chu, P.J.Paukstelis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.56 / 2.40
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	37.099, 37.099, 98.309, 90.00, 90.00, 120.00
R / Rfree (%)	21.2 / 25.4

The structure of A Dna G-Quadruplex/I-Motif Hybrid also contains other interesting chemical elements:

Bromine

(Br)

2 atoms

The binding sites of Barium atom in the A Dna G-Quadruplex/I-Motif Hybrid (pdb code 6tzr). 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 A Dna G-Quadruplex/I-Motif Hybrid, PDB code: 6tzr:

Barium binding site 1 out of 1 in the A Dna G-Quadruplex/I-Motif Hybrid


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of A Dna G-Quadruplex/I-Motif Hybrid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba101 b:64.9 occ:0.50 O6 A:DG4 2.5 69.4 1.0 O6 B:DG4 2.5 50.7 1.0 O6 A:DG5 2.7 50.9 1.0 O6 B:DG5 2.8 73.5 1.0 C6 A:DG4 3.4 59.0 1.0 C6 B:DG4 3.5 59.8 1.0 C6 A:DG5 3.6 67.1 1.0 C6 B:DG5 3.7 64.0 1.0 N1 A:DG4 3.8 57.0 1.0 N1 B:DG5 3.9 61.3 1.0 N1 A:DG5 3.9 67.7 1.0 N1 B:DG4 3.9 56.5 1.0 C5 A:DG4 4.6 57.3 1.0 C6 A:DA3 4.7 60.0 1.0 N6 A:DA3 4.8 63.2 1.0 N1 A:DA3 4.8 64.4 1.0 C5 B:DG4 4.8 62.5 1.0 C5 A:DG5 5.0 61.7 1.0 C5 B:DG5 5.0 62.2 1.0

B.Chu, D.Zhang, P.J.Paukstelis. A Dna G-Quadruplex/I-Motif Hybrid. Nucleic Acids Res. 2019.
ISSN: ESSN 1362-4962
PubMed: 31724696
DOI: 10.1093/NAR/GKZ1008