Bromine in PDB 3ibk: Crystal Structure of A Telomeric Rna Quadruplex

The structure of Crystal Structure of A Telomeric Rna Quadruplex, PDB code: 3ibk was solved by G.W.Collie, S.Neidle, G.N.Parkinson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	11.69 / 2.20
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	57.583, 57.583, 38.377, 90.00, 90.00, 120.00
R / Rfree (%)	21.5 / 23.1

The structure of Crystal Structure of A Telomeric Rna Quadruplex also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Bromine atom in the Crystal Structure of A Telomeric Rna Quadruplex (pdb code 3ibk). 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 A Telomeric Rna Quadruplex, PDB code: 3ibk:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of A Telomeric Rna Quadruplex


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 A Telomeric Rna Quadruplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:21.8 occ:1.00 BR A:5BU1 0.0 21.8 1.0 C5 A:5BU1 1.8 16.9 1.0 C6 A:5BU1 2.8 23.4 1.0 C4 A:5BU1 2.8 21.6 1.0 O4 A:5BU1 3.1 23.4 1.0 N1 A:5BU1 4.1 26.3 1.0 N3 A:5BU1 4.1 19.8 1.0 C2 A:5BU1 4.7 23.4 1.0 O5' A:5BU1 4.8 41.1 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of A Telomeric Rna Quadruplex


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 A Telomeric Rna Quadruplex within 5.0Å range: probe atom residue distance (Å) B Occ B:Br13 b:11.9 occ:1.00 BR B:5BU13 0.0 11.9 1.0 C5 B:5BU13 1.9 15.7 1.0 C6 B:5BU13 2.8 15.5 1.0 C4 B:5BU13 2.9 16.0 1.0 O4 B:5BU13 3.1 18.0 1.0 N3 B:5BU13 4.1 16.2 1.0 N1 B:5BU13 4.1 18.1 1.0 O5' B:5BU13 4.6 21.8 1.0 C2 B:5BU13 4.7 19.1 1.0

G.W.Collie, S.M.Haider, S.Neidle, G.N.Parkinson. A Crystallographic and Modelling Study of A Human Telomeric Rna (Terra) Quadruplex Nucleic Acids Res. V. 38 5569 2010.
ISSN: ISSN 0305-1048
PubMed: 20413582
DOI: 10.1093/NAR/GKQ259