Bromine in PDB 2r1s: Structure of the Rna Brominated Tridecamer R(Gcguu- 5BUGAAACGC) at 1.4 A (BR1)

The structure of Structure of the Rna Brominated Tridecamer R(Gcguu- 5BUGAAACGC) at 1.4 A (BR1), PDB code: 2r1s was solved by Y.Timsit, S.Bombard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.10 / 1.40
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	25.380, 25.670, 29.920, 98.64, 105.43, 100.67
R / Rfree (%)	15.9 / 18.5

The structure of Structure of the Rna Brominated Tridecamer R(Gcguu- 5BUGAAACGC) at 1.4 A (BR1) also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Sodium	(Na)	5 atoms

The binding sites of Bromine atom in the Structure of the Rna Brominated Tridecamer R(Gcguu- 5BUGAAACGC) at 1.4 A (BR1) (pdb code 2r1s). 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 Rna Brominated Tridecamer R(Gcguu- 5BUGAAACGC) at 1.4 A (BR1), PDB code: 2r1s:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Structure of the Rna Brominated Tridecamer R(Gcguu- 5BUGAAACGC) at 1.4 A (BR1)


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 Rna Brominated Tridecamer R(Gcguu- 5BUGAAACGC) at 1.4 A (BR1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br6 b:11.0 occ:1.00 BR A:5BU6 0.0 11.0 1.0 C5 A:5BU6 1.6 7.1 1.0 C6 A:5BU6 2.6 8.6 1.0 C4 A:5BU6 2.6 7.9 1.0 O4 A:5BU6 3.0 7.7 1.0 O A:HOH31 3.6 12.5 1.0 N3 A:U5 3.7 5.9 1.0 C4 A:U5 3.7 5.6 1.0 C5 A:U5 3.7 6.3 1.0 OP2 A:5BU6 3.7 9.2 1.0 C6 A:U5 3.7 5.9 1.0 O A:HOH38 3.7 15.5 1.0 C2 A:U5 3.7 6.4 1.0 N1 A:U5 3.7 5.6 1.0 N3 A:5BU6 3.9 8.4 1.0 N1 A:5BU6 3.9 7.8 1.0 O A:HOH20 3.9 12.4 1.0 O A:HOH47 4.0 15.3 1.0 O A:HOH58 4.1 17.4 1.0 C2' A:U5 4.2 6.9 1.0 C3' A:U5 4.2 7.4 1.0 O4 A:U5 4.3 6.9 1.0 O5' A:5BU6 4.3 7.9 1.0 O A:HOH52 4.4 20.2 1.0 O2 A:U5 4.4 6.6 1.0 C2 A:5BU6 4.4 8.0 1.0 N7 A:G7 4.5 8.1 1.0 C1' A:U5 4.5 6.7 1.0 NA A:NA15 4.6 20.4 1.0 P A:5BU6 4.6 8.9 1.0 O3' A:U5 4.9 7.9 1.0

Bromine binding site 2 out of 2 in the Structure of the Rna Brominated Tridecamer R(Gcguu- 5BUGAAACGC) at 1.4 A (BR1)


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 Rna Brominated Tridecamer R(Gcguu- 5BUGAAACGC) at 1.4 A (BR1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Br19 b:11.0 occ:1.00 BR B:5BU19 0.0 11.0 1.0 C5 B:5BU19 1.6 6.8 1.0 C6 B:5BU19 2.6 6.9 1.0 C4 B:5BU19 2.6 7.6 1.0 O4 B:5BU19 3.0 6.8 1.0 O B:HOH93 3.4 18.4 1.0 N3 B:U18 3.6 5.3 1.0 C4 B:U18 3.6 5.0 1.0 O B:HOH87 3.6 22.0 0.8 C5 B:U18 3.7 5.3 1.0 C2 B:U18 3.7 5.9 1.0 C6 B:U18 3.8 5.5 1.0 N1 B:U18 3.8 5.3 1.0 OP2 B:5BU19 3.8 7.7 1.0 N3 B:5BU19 3.9 6.5 1.0 O B:HOH36 3.9 14.2 1.0 N1 B:5BU19 3.9 6.6 1.0 O B:HOH99 3.9 37.6 0.9 O B:HOH35 3.9 12.8 1.0 O B:HOH76 4.0 17.9 1.0 O4 B:U18 4.2 5.8 1.0 C2' B:U18 4.2 6.0 1.0 C3' B:U18 4.3 5.5 1.0 N2 B:G20 4.3 8.9 1.0 O2 B:U18 4.3 7.4 1.0 O5' B:5BU19 4.3 7.0 1.0 C2 B:5BU19 4.4 6.6 1.0 N1 B:G20 4.6 8.2 1.0 C1' B:U18 4.6 6.2 1.0 P B:5BU19 4.7 6.8 1.0 C2 B:G20 4.7 8.5 1.0

Y.Timsit, S.Bombard. The 1.3 A Resolution Structure of the Rna Tridecamer R(Gcguuugaaacgc): Metal Ion Binding Correlates with Base Unstacking and Groove Contraction. Rna V. 13 2098 2007.
ISSN: ISSN 1355-8382
PubMed: 17940138
DOI: 10.1261/RNA.730207