Bromine in the structure of Crystal Structures of D(Ccggg(Br)5CCCGG)-Orthogonal Form (pdb 319d)

The binding sites of Bromine atom in the structure of Crystal Structures of D(Ccggg(Br)5CCCGG)-Orthogonal Form (pdb code 319d). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 319d structure was solved by D.B.TIPPIN, M.SUNDARALINGAM, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-2.2 Space group P212121 a (A) 24.360 b (A) 44.290 c (A) 48.050 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 15 Rfree (%) 17.2 Bromine Binding Sites: Bromine binding site 1 out of 2 in 319d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 319d. 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: Dg5, A: Cbr6, A: Dc7, A: Hoh32, A: Hoh34, A: Hoh58, A: Hoh100, A: Hoh111, conact list: Atom Atom Distance (A) Br N9 A:Dg5 3.87 Br N3 A:Dg5 4.57 Br C3' A:Dg5 4.04 Br C8 A:Dg5 3.75 Br C6 A:Dg5 4.46 Br N1 A:Dg5 5.00 Br C5 A:Dg5 3.78 Br C1' A:Dg5 4.66 Br N7 A:Dg5 3.73 Br O3' A:Dg5 4.83 Br C4 A:Dg5 3.86 Br C2' A:Dg5 4.36 Br N3 A:Cbr6 4.14 Br C2 A:Cbr6 4.66 Br C6 A:Cbr6 2.79 Br N1 A:Cbr6 4.09 Br C5 A:Cbr6 1.87 Br P A:Cbr6 4.61 Br C4 A:Cbr6 2.90 Br OP2 A:Cbr6 3.86 Br BR A:Cbr6 0.00 Br O5' A:Cbr6 4.31 Br N4 A:Cbr6 3.09 Br C6 A:Dc7 4.74 Br C5 A:Dc7 3.98 Br C4 A:Dc7 4.52 Br N4 A:Dc7 4.46 Br O A:Hoh32 3.99 Br O A:Hoh34 3.63 Br O A:Hoh58 4.04 Br O A:Hoh100 4.58 Br O A:Hoh111 4.12 interactive model: Bromine binding site 2 out of 2 in 319d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 319d. 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: Dg15, B: Cbr16, B: Hoh33, B: Hoh36, B: Hoh41, B: Hoh54, B: Hoh91, B: Hoh92, B: Hoh110, conact list: Atom Atom Distance (A) Br N9 B:Dg15 4.24 Br C3' B:Dg15 4.40 Br C8 B:Dg15 3.71 Br C6 B:Dg15 4.88 Br C5 B:Dg15 4.17 Br N7 B:Dg15 3.67 Br C4 B:Dg15 4.49 Br OP2 B:Dg15 4.66 Br C2' B:Dg15 4.93 Br O5' B:Dg15 4.52 Br N3 B:Cbr16 4.15 Br C2 B:Cbr16 4.62 Br C6 B:Cbr16 2.74 Br N1 B:Cbr16 4.04 Br C5 B:Cbr16 1.86 Br P B:Cbr16 4.61 Br C4 B:Cbr16 2.91 Br OP2 B:Cbr16 3.69 Br BR B:Cbr16 0.00 Br O5' B:Cbr16 4.36 Br N4 B:Cbr16 3.15 Br O B:Hoh33 3.75 Br O B:Hoh36 3.94 Br O B:Hoh41 4.23 Br O B:Hoh54 3.65 Br O B:Hoh91 3.66 Br O B:Hoh92 3.73 Br O B:Hoh110 4.39 interactive model: