Bromine in PDB 2r20: Structure of the Rna Brominated Tridecamer R(Gcguu- 5BUGAAACGC) at 1.3 A (BR2)

The structure of Structure of the Rna Brominated Tridecamer R(Gcguu- 5BUGAAACGC) at 1.3 A (BR2), PDB code: 2r20 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)	20.00 / 1.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	25.280, 25.800, 29.990, 98.62, 105.58, 100.92
R / Rfree (%)	18.1 / 19.5

The structure of Structure of the Rna Brominated Tridecamer R(Gcguu- 5BUGAAACGC) at 1.3 A (BR2) 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 1.3 A (BR2) (pdb code 2r20). 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 1.3 A (BR2), PDB code: 2r20:
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 1.3 A (BR2)


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 1.3 A (BR2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br6 b:20.0 occ:1.00 BR A:5BU6 0.0 20.0 1.0 C5 A:5BU6 1.7 9.9 1.0 C6 A:5BU6 2.6 11.4 1.0 C4 A:5BU6 2.7 11.1 1.0 O4 A:5BU6 3.0 11.3 1.0 C5 A:U5 3.6 8.7 1.0 C4 A:U5 3.6 8.4 1.0 N3 A:U5 3.7 8.1 1.0 C6 A:U5 3.7 9.5 1.0 O A:HOH31 3.7 16.4 1.0 OP2 A:5BU6 3.7 13.1 1.0 O A:HOH20 3.7 16.0 1.0 O A:HOH38 3.8 18.8 1.0 N1 A:U5 3.8 8.2 1.0 C2 A:U5 3.8 7.9 1.0 N3 A:5BU6 3.9 10.6 1.0 O A:HOH47 3.9 22.4 1.0 N1 A:5BU6 4.0 11.0 1.0 O A:HOH57 4.1 20.1 1.0 C2' A:U5 4.2 9.9 1.0 C3' A:U5 4.2 10.6 1.0 O4 A:U5 4.3 9.3 1.0 O A:HOH51 4.3 22.1 1.0 O5' A:5BU6 4.4 11.4 1.0 O2 A:U5 4.4 9.6 1.0 C2 A:5BU6 4.5 10.6 1.0 N7 A:G7 4.5 10.8 1.0 NA A:NA15 4.6 20.7 1.0 C1' A:U5 4.6 9.7 1.0 P A:5BU6 4.6 12.5 1.0 O3' A:U5 4.9 11.2 1.0

Bromine binding site 2 out of 2 in the Structure of the Rna Brominated Tridecamer R(Gcguu- 5BUGAAACGC) at 1.3 A (BR2)


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 1.3 A (BR2) within 5.0Å range: probe atom residue distance (Å) B Occ B:Br19 b:19.7 occ:1.00 BR B:5BU19 0.0 19.7 1.0 C5 B:5BU19 1.7 10.5 1.0 C6 B:5BU19 2.6 11.3 1.0 C4 B:5BU19 2.7 11.4 1.0 O4 B:5BU19 3.0 10.8 1.0 O B:HOH90 3.6 23.2 1.0 C4 B:U18 3.6 8.5 1.0 N3 B:U18 3.6 8.2 1.0 C5 B:U18 3.7 8.1 1.0 O B:HOH84 3.7 21.6 1.0 C6 B:U18 3.7 9.0 1.0 C2 B:U18 3.7 8.9 1.0 OP2 B:5BU19 3.7 10.6 1.0 N1 B:U18 3.8 8.3 1.0 O B:HOH95 3.8 41.8 1.0 N3 B:5BU19 3.9 9.5 1.0 N1 B:5BU19 3.9 9.4 1.0 O B:HOH36 4.0 18.6 1.0 O B:HOH35 4.1 25.9 1.0 O B:HOH73 4.2 22.1 1.0 C2' B:U18 4.2 9.5 1.0 O4 B:U18 4.2 9.4 1.0 C3' B:U18 4.3 8.9 1.0 O5' B:5BU19 4.3 9.2 1.0 N2 B:G20 4.3 12.0 1.0 O2 B:U18 4.4 9.6 1.0 C2 B:5BU19 4.5 10.1 1.0 C1' B:U18 4.6 9.1 1.0 P B:5BU19 4.6 9.5 1.0 N1 B:G20 4.6 9.7 1.0 C2 B:G20 4.8 10.1 1.0 O3' B:U18 5.0 8.9 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