Bromine in the structure of Br Derivitation of A-Dna Octamer Gtg(Ubr)Acac (pdb 2h05)

The binding sites of Bromine atom in the structure of Br Derivitation of A-Dna Octamer Gtg(Ubr)Acac (pdb code 2h05). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 2h05 structure was solved by J.JIANG, J.SHENG, Z.HUANG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 18.8-1.8 Space group P43212 a (A) 42.048 b (A) 42.048 c (A) 24.270 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.3 Rfree (%) 24.8 Bromine Binding Sites: Bromine binding site 1 out of 1 in 2h05 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 2h05. 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: Bru4, A: Hoh12, A: Hoh25, A: Hoh28, A: Hoh32, A: Hoh33, A: Hoh34, A: Hoh41, conact list: Atom Atom Distance (A) Br N9 A:Dg3 3.88 Br N3 A:Dg3 4.67 Br C3' A:Dg3 3.98 Br C8 A:Dg3 3.66 Br C6 A:Dg3 4.43 Br C5 A:Dg3 3.75 Br C1' A:Dg3 4.63 Br N7 A:Dg3 3.60 Br O3' A:Dg3 4.89 Br C4 A:Dg3 3.93 Br C5' A:Dg3 4.65 Br C2' A:Dg3 3.98 Br C4' A:Dg3 4.85 Br O6 A:Dg3 4.97 Br N3 A:Bru4 4.03 Br C2 A:Bru4 4.61 Br C6 A:Bru4 2.76 Br N1 A:Bru4 4.07 Br C5 A:Bru4 1.71 Br P A:Bru4 4.74 Br C4 A:Bru4 2.77 Br OP2 A:Bru4 3.98 Br BR A:Bru4 0.00 Br O5' A:Bru4 4.50 Br O4 A:Bru4 3.07 Br O A:Hoh12 4.56 Br O A:Hoh25 4.64 Br O A:Hoh28 3.02 Br O A:Hoh32 4.30 Br O A:Hoh33 4.04 Br O A:Hoh34 4.32 Br O A:Hoh41 4.82 interactive model: