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Bromine in PDB 6tzs: A Dna I-Motif/Duplex Hybrid

Protein crystallography data

The structure of A Dna I-Motif/Duplex Hybrid, PDB code: 6tzs 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) 46.78 / 2.60
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 51.520, 51.520, 111.610, 90.00, 90.00, 90.00
R / Rfree (%) 26.7 / 31.7

Bromine Binding Sites:

The binding sites of Bromine atom in the A Dna I-Motif/Duplex Hybrid (pdb code 6tzs). 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 I-Motif/Duplex Hybrid, PDB code: 6tzs:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 6tzs

Go back to Bromine Binding Sites List in 6tzs
Bromine binding site 1 out of 2 in the A Dna I-Motif/Duplex 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 I-Motif/Duplex Hybrid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br9

b:47.4
occ:1.00
BR A:CBR9 0.0 47.4 1.0
C5 A:CBR9 1.9 41.8 1.0
C6 A:CBR9 2.9 41.1 1.0
C4 A:CBR9 2.9 41.6 1.0
N4 A:CBR9 3.2 41.3 1.0
C2' A:DG8 3.6 47.5 1.0
N9 A:DG8 3.7 42.9 1.0
C8 A:DG8 3.7 40.8 1.0
C1' A:DG8 4.0 46.7 1.0
C4 A:DG8 4.0 40.9 1.0
N7 A:DG8 4.1 40.1 1.0
N1 A:CBR9 4.1 40.5 1.0
N3 A:CBR9 4.2 38.6 1.0
C5 A:DG8 4.2 40.1 1.0
OP2 A:CBR9 4.3 51.4 1.0
C2 A:CBR9 4.6 38.1 1.0
N3 A:DG8 4.7 40.9 1.0

Bromine binding site 2 out of 2 in 6tzs

Go back to Bromine Binding Sites List in 6tzs
Bromine binding site 2 out of 2 in the A Dna I-Motif/Duplex 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 I-Motif/Duplex Hybrid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br9

b:50.6
occ:0.73
BR B:CBR9 0.0 50.6 0.7
C5 B:CBR9 1.9 50.1 1.0
C4 B:CBR9 2.9 51.2 1.0
C6 B:CBR9 2.9 52.4 1.0
N4 B:CBR9 3.0 52.4 1.0
C4 A:DG5 3.5 46.2 1.0
C2' B:DG8 3.5 58.9 1.0
N9 B:DG8 3.6 47.8 1.0
C8 B:DG8 3.6 43.9 1.0
C5 A:DG5 3.6 45.5 1.0
N3 A:DG5 3.7 47.1 1.0
C1' B:DG8 3.8 54.6 1.0
N9 A:DG5 3.8 46.3 1.0
O4' A:DG5 4.0 46.6 1.0
C2 A:DG5 4.0 49.2 1.0
C4 B:DG8 4.0 42.3 1.0
C6 A:DG5 4.0 45.9 1.0
N7 B:DG8 4.1 41.2 1.0
N7 A:DG5 4.1 45.2 1.0
N3 B:CBR9 4.1 49.9 1.0
N1 A:DG5 4.1 47.1 1.0
N1 B:CBR9 4.1 56.2 1.0
C8 A:DG5 4.2 45.9 1.0
C5 B:DG8 4.3 40.5 1.0
C1' A:DG5 4.4 47.2 1.0
C2 B:CBR9 4.6 52.4 1.0
N3 B:DG8 4.7 41.1 1.0
O6 A:DG5 4.8 47.6 1.0
O3' B:DG8 4.8 68.0 1.0
N2 A:DG5 4.8 49.1 1.0
C3' B:DG8 4.8 61.3 1.0

Reference:

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
Page generated: Thu Jul 11 02:54:32 2024

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