Bromine in the structure of Crystal Structure of An Rna Tetraplex (Ugaggu)4 With A- Tetrads, G-Tetrads, U-Tetrads and G-U Octads (pdb 1j6s)

The binding sites of Bromine atom in the structure of Crystal Structure of An Rna Tetraplex (Ugaggu)4 With A- Tetrads, G-Tetrads, U-Tetrads and G-U Octads (pdb code 1j6s). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 1j6s structure was solved by B.PAN, Y.XIONG, K.SHI, J.DENG, M.SUNDARALINGAM, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-1.4 Space group P4212 a (A) 37.984 b (A) 37.984 c (A) 82.195 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 16.6 Rfree (%) 18.4 Bromine Binding Sites: Bromine binding site 1 out of 4 in 1j6s Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 1j6s. 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: Bru1, C: G14, C: A15, C: G16, A: Hoh319, A: Hoh355, A: Hoh388, C: Hoh377, conact list: Atom Atom Distance (A) Br N3 A:Bru1 4.09 Br C2 A:Bru1 4.66 Br C6 A:Bru1 2.77 Br N1 A:Bru1 4.09 Br C5 A:Bru1 1.87 Br C4 A:Bru1 2.84 Br BR A:Bru1 0.00 Br O5' A:Bru1 4.64 Br O4 A:Bru1 3.12 Br O3' C:G14 4.99 Br OP1 C:A15 3.43 Br C3' C:A15 4.67 Br P C:A15 4.18 Br O3' C:A15 4.09 Br C5' C:A15 3.74 Br C4' C:A15 3.92 Br O5' C:A15 3.59 Br OP1 C:G16 4.84 Br O A:Hoh319 4.97 Br O A:Hoh355 4.98 Br O A:Hoh388 4.56 Br O C:Hoh377 3.83 interactive model: Bromine binding site 2 out of 4 in 1j6s Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 1j6s. 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: Bru7, B: Hoh353, C: Hoh333, conact list: Atom Atom Distance (A) Br N3 B:Bru7 4.11 Br C2 B:Bru7 4.67 Br C6 B:Bru7 2.77 Br N1 B:Bru7 4.09 Br C5 B:Bru7 1.86 Br C4 B:Bru7 2.88 Br BR B:Bru7 0.00 Br O5' B:Bru7 4.14 Br O4 B:Bru7 3.20 Br O B:Hoh353 4.06 Br O C:Hoh333 3.52 interactive model: Bromine binding site 3 out of 4 in 1j6s Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Bromine in the PDB 1j6s. 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: C: Bru13, C: Hoh370, C: Hoh390, conact list: Atom Atom Distance (A) Br N3 C:Bru13 4.12 Br C2 C:Bru13 4.68 Br C6 C:Bru13 2.81 Br N1 C:Bru13 4.10 Br C5 C:Bru13 1.88 Br C4 C:Bru13 2.87 Br BR C:Bru13 0.00 Br O5' C:Bru13 4.43 Br O4 C:Bru13 3.15 Br O C:Hoh370 4.82 Br O C:Hoh390 4.08 interactive model: Bromine binding site 4 out of 4 in 1j6s Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Bromine in the PDB 1j6s. 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: D: Bru19, conact list: Atom Atom Distance (A) Br N3 D:Bru19 4.06 Br C2 D:Bru19 4.66 Br C6 D:Bru19 2.81 Br N1 D:Bru19 4.12 Br C5 D:Bru19 1.87 Br C4 D:Bru19 2.82 Br BR D:Bru19 0.00 Br O5' D:Bru19 4.19 Br O4 D:Bru19 3.07 interactive model: