Bromine in the structure of Reversible Bending and Helix Geometry in A B-Dna Dodecamer: Cgcgaattbrcgcg (pdb 4bna)

The binding sites of Bromine atom in the structure of Reversible Bending and Helix Geometry in A B-Dna Dodecamer: Cgcgaattbrcgcg (pdb code 4bna). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 4bna structure was solved by M.L.KOPKA, A.V.FRATINI, R.E.DICKERSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-2.3 Space group P212121 a (A) 24.200 b (A) 40.090 c (A) 63.950 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.6 Rfree (%) n/a Bromine Binding Sites: Bromine binding site 1 out of 2 in 4bna Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 4bna. 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: Dt8, A: Cbr9, A: Dg10, A: Hoh81, A: Hoh93, conact list: Atom Atom Distance (A) Br N3 A:Dt8 4.72 Br C3' A:Dt8 4.90 Br C2 A:Dt8 4.32 Br C6 A:Dt8 3.91 Br N1 A:Dt8 3.90 Br C5 A:Dt8 4.35 Br C1' A:Dt8 4.33 Br O2 A:Dt8 4.87 Br C4 A:Dt8 4.76 Br C2' A:Dt8 3.62 Br N3 A:Cbr9 4.11 Br C2 A:Cbr9 4.62 Br C6 A:Cbr9 2.85 Br N1 A:Cbr9 4.10 Br C5 A:Cbr9 1.88 Br C4 A:Cbr9 2.86 Br OP2 A:Cbr9 4.76 Br BR A:Cbr9 0.00 Br N4 A:Cbr9 3.05 Br N7 A:Dg10 4.83 Br O6 A:Dg10 4.44 Br O A:Hoh81 3.96 Br O A:Hoh93 4.22 interactive model: Bromine binding site 2 out of 2 in 4bna Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 4bna. 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: Dt20, B: Cbr21, B: Dg22, A: Hoh60, A: Hoh88, B: Hoh33, B: Hoh104, B: Hoh129, conact list: Atom Atom Distance (A) Br N3 B:Dt20 4.42 Br C2 B:Dt20 4.27 Br C6 B:Dt20 3.65 Br N1 B:Dt20 3.89 Br C5 B:Dt20 3.82 Br C1' B:Dt20 4.57 Br O2 B:Dt20 4.99 Br C7 B:Dt20 4.39 Br C4 B:Dt20 4.24 Br C2' B:Dt20 3.99 Br O4 B:Dt20 4.94 Br N3 B:Cbr21 4.11 Br C2 B:Cbr21 4.62 Br C6 B:Cbr21 2.88 Br N1 B:Cbr21 4.14 Br C5 B:Cbr21 1.89 Br C4 B:Cbr21 2.85 Br BR B:Cbr21 0.00 Br N4 B:Cbr21 3.03 Br N7 B:Dg22 4.79 Br O6 B:Dg22 4.57 Br O A:Hoh60 4.17 Br O A:Hoh88 3.89 Br O B:Hoh33 4.33 Br O B:Hoh104 4.06 Br O B:Hoh129 2.89 interactive model: