Bromine in the structure of Structure of the Rna Brominated Tridecamer R(Gcguu- 5BUGAAACGC) At 1.6 A (Brmn) (pdb 2r21)

The binding sites of Bromine atom in the structure of Structure of the Rna Brominated Tridecamer R(Gcguu- 5BUGAAACGC) At 1.6 A (Brmn) (pdb code 2r21). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 2r21 structure was solved by Y.TIMSIT, S.BOMBARD, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.6 Space group P1 a (A) 25.250 b (A) 25.650 c (A) 29.720 alpha (°) 98.13 beta (°) 106.15 gamma (°) 100.83 Rfactor (%) 16.9 Rfree (%) 19.1 Bromine Binding Sites: Bromine binding site 1 out of 2 in 2r21 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 2r21. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: U5, A: 5bu6, A: G7, A: Na15, A: Hoh20, A: Hoh31, A: Hoh38, A: Hoh46, A: Hoh51, A: Hoh55, conact list: Atom Atom Distance (A) Br N3 A:U5 3.66 Br C3' A:U5 4.23 Br C2 A:U5 3.79 Br C6 A:U5 3.68 Br N1 A:U5 3.77 Br C5 A:U5 3.60 Br C1' A:U5 4.61 Br O2 A:U5 4.45 Br O3' A:U5 4.95 Br C4 A:U5 3.62 Br C2' A:U5 4.25 Br O4 A:U5 4.24 Br N3 A:5bu6 3.92 Br C2 A:5bu6 4.49 Br C6 A:5bu6 2.63 Br N1 A:5bu6 3.95 Br C5 A:5bu6 1.66 Br P A:5bu6 4.58 Br C4 A:5bu6 2.68 Br OP2 A:5bu6 3.65 Br BR A:5bu6 0.00 Br O5' A:5bu6 4.35 Br O4 A:5bu6 3.02 Br N7 A:G7 4.51 Br NA A:Na15 4.40 Br O A:Hoh20 3.76 Br O A:Hoh31 3.66 Br O A:Hoh38 3.56 Br O A:Hoh46 3.92 Br O A:Hoh51 4.16 Br O A:Hoh55 4.06 interactive model: Bromine binding site 2 out of 2 in 2r21 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 2r21. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: U18, B: 5bu19, B: G20, B: Hoh35, B: Hoh36, B: Hoh81, B: Hoh86, conact list: Atom Atom Distance (A) Br N3 B:U18 3.61 Br C3' B:U18 4.24 Br C2 B:U18 3.76 Br C6 B:U18 3.69 Br N1 B:U18 3.77 Br C5 B:U18 3.60 Br C1' B:U18 4.59 Br O2 B:U18 4.43 Br O3' B:U18 4.95 Br C4 B:U18 3.57 Br C2' B:U18 4.19 Br O4 B:U18 4.14 Br N3 B:5bu19 3.93 Br C2 B:5bu19 4.50 Br C6 B:5bu19 2.62 Br N1 B:5bu19 3.94 Br C5 B:5bu19 1.66 Br P B:5bu19 4.57 Br C4 B:5bu19 2.69 Br OP2 B:5bu19 3.72 Br BR B:5bu19 0.00 Br O5' B:5bu19 4.30 Br O4 B:5bu19 3.04 Br N2 B:G20 4.34 Br C2 B:G20 4.81 Br N1 B:G20 4.60 Br O B:Hoh35 4.02 Br O B:Hoh36 3.91 Br O B:Hoh81 3.76 Br O B:Hoh86 3.44 interactive model: