Bromine 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:

Barium

(Ba)

1 atom

The binding sites of Bromine atom in the A Dna G-Quadruplex/I-Motif Hybrid (pdb code 6tzr). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the A Dna G-Quadruplex/I-Motif Hybrid, PDB code: 6tzr:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the A Dna G-Quadruplex/I-Motif Hybrid


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of A Dna G-Quadruplex/I-Motif Hybrid within 5.0Å range: probe atom residue distance (Å) B Occ A:Br7 b:89.8 occ:1.00 BR A:BRU7 0.0 89.8 1.0 C5 A:BRU7 1.9 68.4 1.0 C6 A:BRU7 2.9 67.0 1.0 C4 A:BRU7 2.9 64.1 1.0 O4 A:BRU7 3.0 63.4 1.0 O3' A:DG5 3.5 74.3 1.0 OP2 A:BRU7 4.1 79.2 1.0 C2' A:DC6 4.1 79.7 1.0 C2' A:DG5 4.1 71.3 1.0 N1 A:BRU7 4.1 70.1 1.0 N3 A:BRU7 4.1 70.2 1.0 C1' A:DG5 4.2 70.5 1.0 OP2 A:DC6 4.2 83.0 1.0 C3' A:DC6 4.2 78.5 1.0 P A:DC6 4.4 81.0 1.0 C3' A:DG5 4.5 68.4 1.0 O5' A:DC6 4.6 75.8 1.0 C2 A:BRU7 4.6 71.0 1.0 N9 A:DG5 4.8 69.6 1.0 N3 A:DG5 4.9 57.5 1.0 O5' A:BRU7 4.9 83.9 1.0

Bromine binding site 2 out of 2 in the A Dna G-Quadruplex/I-Motif Hybrid


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of A Dna G-Quadruplex/I-Motif Hybrid within 5.0Å range: probe atom residue distance (Å) B Occ B:Br7 b:99.3 occ:1.00 BR B:BRU7 0.0 99.3 1.0 C5 B:BRU7 1.9 79.1 1.0 C6 B:BRU7 2.9 73.8 1.0 C4 B:BRU7 2.9 73.6 1.0 O4 B:BRU7 3.1 61.9 1.0 O6 B:DG8 3.4 0.2 1.0 N1 B:DG8 3.5 80.7 1.0 C6 B:DG8 3.5 88.9 1.0 O2 B:DC6 3.6 83.4 1.0 N1 B:BRU7 4.1 65.4 1.0 N3 B:BRU7 4.2 69.8 1.0 C2 B:DG8 4.3 76.2 1.0 C5 B:DG8 4.4 80.3 1.0 C2 B:BRU7 4.7 69.3 1.0 C2 B:DC6 4.8 74.9 1.0 N2 B:DG8 4.8 73.8 1.0 C4 B:DG8 5.0 81.7 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