Bromine in PDB 6jkn: Crystal Structure of G-Quadruplex Formed By Bromo-Substituted Human Telomeric Dna

The structure of Crystal Structure of G-Quadruplex Formed By Bromo-Substituted Human Telomeric Dna, PDB code: 6jkn was solved by Y.Geng, Q.Cai, C.Liu, G.Zhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.00 / 1.40
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	46.252, 46.252, 120.054, 90.00, 90.00, 120.00
R / Rfree (%)	15.9 / 18.4

The structure of Crystal Structure of G-Quadruplex Formed By Bromo-Substituted Human Telomeric Dna also contains other interesting chemical elements:

Potassium

(K)

3 atoms

The binding sites of Bromine atom in the Crystal Structure of G-Quadruplex Formed By Bromo-Substituted Human Telomeric Dna (pdb code 6jkn). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of G-Quadruplex Formed By Bromo-Substituted Human Telomeric Dna, PDB code: 6jkn:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of G-Quadruplex Formed By Bromo-Substituted Human Telomeric Dna


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of G-Quadruplex Formed By Bromo-Substituted Human Telomeric Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Br8 b:28.7 occ:1.00 BR A:BGM8 0.0 28.7 1.0 C8 A:BGM8 2.0 23.6 1.0 N7 A:BGM8 2.8 23.3 1.0 N9 A:BGM8 2.9 24.0 1.0 O4' A:DG9 3.1 31.3 1.0 C1' A:BGM8 3.3 26.4 1.0 O A:HOH286 3.7 30.4 1.0 O A:HOH226 3.8 28.6 1.0 O A:HOH269 3.8 32.3 1.0 O A:HOH256 3.9 25.1 1.0 N2 A:DG2 3.9 23.4 1.0 N3 A:DG9 3.9 24.2 1.0 C5 A:BGM8 3.9 23.6 1.0 C4 A:DG9 4.0 24.3 1.0 C1' A:DG9 4.0 28.7 1.0 C4 A:BGM8 4.0 23.8 1.0 N9 A:DG9 4.0 25.4 1.0 C4' A:DG9 4.1 34.4 1.0 O A:HOH316 4.3 51.8 1.0 O4' A:BGM8 4.3 25.8 1.0 C2' A:BGM8 4.5 26.4 1.0 C2 A:DG9 4.6 23.7 1.0 C5' A:DG9 4.6 34.4 1.0 C5 A:DG9 4.6 24.3 1.0 C8 A:DG9 4.7 24.6 1.0 N2 A:DG3 4.8 21.9 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of G-Quadruplex Formed By Bromo-Substituted Human Telomeric Dna


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of G-Quadruplex Formed By Bromo-Substituted Human Telomeric Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Br20 b:28.1 occ:1.00 BR A:BGM20 0.0 28.1 1.0 C8 A:BGM20 2.0 22.8 1.0 N7 A:BGM20 2.9 23.4 1.0 N9 A:BGM20 2.9 22.2 1.0 C1' A:BGM20 3.3 22.8 1.0 O4' A:DG21 3.6 25.4 1.0 O A:HOH223 3.7 43.4 1.0 N9 A:DG21 3.8 24.6 1.0 C1' A:DG21 3.8 26.4 1.0 C4 A:DG21 3.8 23.5 1.0 N3 A:DG21 3.9 22.7 1.0 O A:HOH291 3.9 32.2 1.0 N2 A:DG14 4.0 22.1 1.0 C5 A:BGM20 4.0 21.0 1.0 C4 A:BGM20 4.0 20.7 1.0 N2 A:DG15 4.2 20.8 1.0 O A:HOH262 4.3 29.7 1.0 O4' A:BGM20 4.4 24.1 1.0 C2' A:BGM20 4.4 24.9 1.0 C8 A:DG21 4.5 23.6 1.0 C5 A:DG21 4.5 23.1 1.0 C2 A:DG21 4.6 23.3 1.0 C4' A:DG21 4.9 25.7 1.0 N7 A:DG21 4.9 23.9 1.0

Y.Geng, C.Liu, B.Zhou, Q.Cai, H.Miao, X.Shi, N.Xu, Y.You, C.P.Fung, R.U.Din, G.Zhu. The Crystal Structure of An Antiparallel Chair-Type G-Quadruplex Formed By Bromo-Substituted Human Telomeric Dna. Nucleic Acids Res. V. 47 5395 2019.
ISSN: ESSN 1362-4962
PubMed: 30957851
DOI: 10.1093/NAR/GKZ221