Bromine in the structure of Complete Rna Polymerase II-Rna Inhibitor Complex (pdb 2b63)

The binding sites of Bromine atom in the structure of Complete Rna Polymerase II-Rna Inhibitor Complex (pdb code 2b63). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 2b63 structure was solved by H.KETTENBERGER, A.EISENFUEHR, F.BRUECKNER, M.THEIS, M.FAMULOK, P.CRAMER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-3.8 Space group C2221 a (A) 224.585 b (A) 399.815 c (A) 286.727 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 25.2 Rfree (%) 27.3 Bromine Binding Sites: Bromine binding site 1 out of 4 in 2b63 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 2b63. 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: R: A10, R: U11, R: 5bu12, B: Glu1120, conact list: Atom Atom Distance (A) Br O3' R:A10 5.00 Br C2' R:A10 4.17 Br O2' R:A10 3.99 Br OP2 R:U11 4.05 Br C5' R:U11 4.89 Br N3 R:5bu12 4.21 Br C2 R:5bu12 4.81 Br C6 R:5bu12 2.98 Br N1 R:5bu12 4.28 Br C5 R:5bu12 1.99 Br C4 R:5bu12 2.97 Br BR R:5bu12 0.00 Br O4 R:5bu12 3.22 Br OE2 B:Glu1120 4.86 interactive model: Bromine binding site 2 out of 4 in 2b63 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 2b63. 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: R: G16, R: 5bu17, conact list: Atom Atom Distance (A) Br N9 R:G16 3.20 Br N3 R:G16 3.68 Br C3' R:G16 3.80 Br C8 R:G16 3.33 Br C2 R:G16 4.20 Br C6 R:G16 3.90 Br N1 R:G16 4.28 Br C5 R:G16 3.20 Br C1' R:G16 4.00 Br N7 R:G16 3.38 Br O3' R:G16 4.84 Br O4' R:G16 4.65 Br C4 R:G16 3.10 Br C2' R:G16 3.82 Br C4' R:G16 4.70 Br O5' R:G16 4.43 Br O6 R:G16 4.66 Br N3 R:5bu17 4.13 Br C2 R:5bu17 4.68 Br C6 R:5bu17 2.76 Br N1 R:5bu17 4.07 Br C5 R:5bu17 1.87 Br P R:5bu17 4.93 Br O4' R:5bu17 4.92 Br C4 R:5bu17 2.90 Br OP2 R:5bu17 4.59 Br BR R:5bu17 0.00 Br O5' R:5bu17 4.38 Br O4 R:5bu17 3.20 interactive model: Bromine binding site 3 out of 4 in 2b63 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Bromine in the PDB 2b63. 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: R: C26, R: 5bu27, R: 5bu28, conact list: Atom Atom Distance (A) Br N3 R:C26 3.78 Br C3' R:C26 3.84 Br C2 R:C26 3.77 Br C6 R:C26 3.81 Br N1 R:C26 3.78 Br C5 R:C26 3.83 Br C1' R:C26 4.52 Br O2 R:C26 4.36 Br O3' R:C26 4.45 Br C4 R:C26 3.80 Br C2' R:C26 4.04 Br N4 R:C26 4.47 Br N3 R:5bu27 4.22 Br C2 R:5bu27 4.77 Br C6 R:5bu27 2.82 Br N1 R:5bu27 4.15 Br C5 R:5bu27 1.92 Br P R:5bu27 4.98 Br O4' R:5bu27 4.89 Br C4 R:5bu27 2.99 Br C5' R:5bu27 4.63 Br BR R:5bu27 0.00 Br O5' R:5bu27 4.05 Br O4 R:5bu27 3.28 Br C5 R:5bu28 4.24 Br C4 R:5bu28 4.61 Br BR R:5bu28 3.32 Br O4 R:5bu28 4.47 interactive model: Bromine binding site 4 out of 4 in 2b63 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Bromine in the PDB 2b63. 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: R: 5bu27, R: 5bu28, conact list: Atom Atom Distance (A) Br C6 R:5bu27 3.95 Br N1 R:5bu27 4.83 Br C5 R:5bu27 3.60 Br C4 R:5bu27 4.28 Br C5' R:5bu27 4.44 Br BR R:5bu27 3.32 Br O5' R:5bu27 4.85 Br O4 R:5bu27 4.65 Br N3 R:5bu28 4.31 Br C2 R:5bu28 4.92 Br C6 R:5bu28 3.05 Br N1 R:5bu28 4.38 Br C5 R:5bu28 2.06 Br C4 R:5bu28 3.05 Br BR R:5bu28 0.00 Br O4 R:5bu28 3.27 interactive model: