Bromine in the structure of 2'-Me-Se and Br Derivitation of A-Dna Octamer G(Ums)G(Bru) Acac (pdb 2gpx)

The binding sites of Bromine atom in the structure of 2'-Me-Se and Br Derivitation of A-Dna Octamer G(Ums)G(Bru) Acac (pdb code 2gpx). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 2gpx structure was solved by J.JIANG, Z.HUANG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 18.9-1.6 Space group P43212 a (A) 42.252 b (A) 42.252 c (A) 24.133 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.7 Rfree (%) 23.8 Bromine Binding Sites: Bromine binding site 1 out of 1 in 2gpx Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 2gpx. 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: Hoh105, A: Hoh106, A: Hoh116, A: Hoh122, A: Hoh123, A: Hoh125, A: Hoh126, conact list: Atom Atom Distance (A) Br N9 A:Dg3 3.74 Br N3 A:Dg3 4.43 Br C3' A:Dg3 3.83 Br C8 A:Dg3 3.65 Br C2 A:Dg3 4.91 Br C6 A:Dg3 4.45 Br N1 A:Dg3 4.93 Br C5 A:Dg3 3.72 Br C1' A:Dg3 4.46 Br N7 A:Dg3 3.66 Br O3' A:Dg3 4.72 Br O4' A:Dg3 4.88 Br C4 A:Dg3 3.78 Br C5' A:Dg3 4.85 Br C2' A:Dg3 3.80 Br C4' A:Dg3 4.79 Br N3 A:Bru4 4.04 Br C2 A:Bru4 4.61 Br C6 A:Bru4 2.75 Br N1 A:Bru4 4.06 Br C5 A:Bru4 1.70 Br P A:Bru4 4.56 Br C4 A:Bru4 2.80 Br OP2 A:Bru4 3.68 Br BR A:Bru4 0.00 Br O5' A:Bru4 4.44 Br O4 A:Bru4 3.11 Br O A:Hoh105 4.97 Br O A:Hoh106 4.04 Br O A:Hoh116 4.60 Br O A:Hoh122 4.35 Br O A:Hoh123 2.95 Br O A:Hoh125 3.69 Br O A:Hoh126 4.78 interactive model: