Bromine in PDB 3ivn: Structure of the U65C Mutant A-Riboswitch Aptamer From the Bacillus Subtilis Pbue Operon

The structure of Structure of the U65C Mutant A-Riboswitch Aptamer From the Bacillus Subtilis Pbue Operon, PDB code: 3ivn was solved by V.Delfosse, P.Dagenais, D.Chausse, G.Di Tomasso, P.Legault, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.04 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	124.930, 46.330, 87.240, 90.00, 120.04, 90.00
R / Rfree (%)	22.7 / 27.7

The structure of Structure of the U65C Mutant A-Riboswitch Aptamer From the Bacillus Subtilis Pbue Operon also contains other interesting chemical elements:

Magnesium

(Mg)

9 atoms

The binding sites of Bromine atom in the Structure of the U65C Mutant A-Riboswitch Aptamer From the Bacillus Subtilis Pbue Operon (pdb code 3ivn). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Structure of the U65C Mutant A-Riboswitch Aptamer From the Bacillus Subtilis Pbue Operon, PDB code: 3ivn:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Structure of the U65C Mutant A-Riboswitch Aptamer From the Bacillus Subtilis Pbue Operon


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of the U65C Mutant A-Riboswitch Aptamer From the Bacillus Subtilis Pbue Operon within 5.0Å range: probe atom residue distance (Å) B Occ A:Br106 b:23.9 occ:0.51 O2' A:C60 2.9 25.2 1.0 O2 A:C60 3.0 25.9 1.0 O4' A:C61 3.2 22.8 1.0 BR A:BR107 3.2 24.9 0.6 C2' A:C60 3.6 26.1 1.0 C1' A:C60 3.8 27.6 1.0 C1' A:C61 3.9 22.5 1.0 N2 A:G48 4.1 24.9 1.0 C2 A:C60 4.2 26.6 1.0 C4' A:C61 4.3 21.8 1.0 N3 A:A49 4.3 27.5 1.0 C2 A:A49 4.5 27.7 1.0 N1 A:C60 4.5 27.5 1.0 N1 A:C61 4.6 22.7 1.0 C5' A:C61 4.8 22.5 1.0 C6 A:C61 4.8 23.2 1.0 O4' A:C60 5.0 29.4 1.0

Bromine binding site 2 out of 2 in the Structure of the U65C Mutant A-Riboswitch Aptamer From the Bacillus Subtilis Pbue Operon


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of the U65C Mutant A-Riboswitch Aptamer From the Bacillus Subtilis Pbue Operon within 5.0Å range: probe atom residue distance (Å) B Occ A:Br107 b:24.9 occ:0.64 N2 A:G48 3.2 24.9 1.0 BR A:BR106 3.2 23.9 0.5 O A:HOH139 3.8 21.1 1.0 C1' A:C61 4.0 22.5 1.0 C1' A:A49 4.2 27.3 1.0 C2 A:G48 4.3 24.9 1.0 O4' A:C61 4.3 22.8 1.0 O2 A:C61 4.3 22.8 1.0 O2' A:C61 4.3 21.7 1.0 O2' A:A49 4.4 27.7 1.0 N3 A:G48 4.6 25.1 1.0 N3 A:A49 4.7 27.5 1.0 N1 A:C61 4.8 22.7 1.0 O2 A:C60 4.8 25.9 1.0 C2' A:C61 4.8 21.7 1.0 C2' A:A49 4.9 28.3 1.0 N9 A:A49 4.9 26.7 1.0 C2 A:C61 4.9 22.8 1.0

V.Delfosse, P.Bouchard, E.Bonneau, P.Dagenais, J.F.Lemay, D.A.Lafontaine, P.Legault. Riboswitch Structure: An Internal Residue Mimicking the Purine Ligand. Nucleic Acids Res. V. 38 2057 2010.
ISSN: ISSN 0305-1048
PubMed: 20022916
DOI: 10.1093/NAR/GKP1080