Bromine in the structure of Crystal Structure of the Dna Decamer D(Agg(Br)Catgcct): Comparison With D(Aggcatgcct) and Implications For Cobalt Hexammine Binding to Dna (pdb 238d)

The binding sites of Bromine atom in the structure of Crystal Structure of the Dna Decamer D(Agg(Br)Catgcct): Comparison With D(Aggcatgcct) and Implications For Cobalt Hexammine Binding to Dna (pdb code 238d). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 238d structure was solved by C.M.NUNN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-2.0 Space group P6122 a (A) 33.200 b (A) 33.200 c (A) 77.100 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 19.6 Rfree (%) n/a Bromine Binding Sites: Bromine binding site 1 out of 1 in 238d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 238d. 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: Dg3, A: Cbr4, A: Hoh11, A: Hoh14, A: Hoh47, A: Hoh57, A: Hoh66, conact list: Atom Atom Distance (A) Br N9 A:Dg3 3.95 Br N3 A:Dg3 4.85 Br C3' A:Dg3 3.98 Br C8 A:Dg3 3.71 Br C6 A:Dg3 4.67 Br C5 A:Dg3 3.97 Br C1' A:Dg3 4.61 Br N7 A:Dg3 3.74 Br O3' A:Dg3 4.70 Br O4' A:Dg3 4.95 Br C4 A:Dg3 4.10 Br C2' A:Dg3 4.26 Br O5' A:Dg3 4.96 Br N3 A:Cbr4 4.10 Br C2 A:Cbr4 4.52 Br C6 A:Cbr4 2.75 Br N1 A:Cbr4 4.01 Br C5 A:Cbr4 1.84 Br P A:Cbr4 4.48 Br C4 A:Cbr4 2.85 Br OP2 A:Cbr4 3.66 Br BR A:Cbr4 0.00 Br O5' A:Cbr4 4.32 Br N4 A:Cbr4 3.02 Br O A:Hoh11 4.65 Br O A:Hoh14 3.80 Br O A:Hoh47 3.96 Br O A:Hoh57 3.35 Br O A:Hoh66 3.60 interactive model: