Bromine in the structure of 5'-D(*Tp*Tp*Cp*Tp*Tp*(Bro)Cp*Tp*Tp*C)-3', 5'- R(*Gp*Ap*Ap*Gp*Ap*Ap*Gp*Ap*A)-3' (pdb 421d)

The binding sites of Bromine atom in the structure of 5'-D(*Tp*Tp*Cp*Tp*Tp*(Bro)Cp*Tp*Tp*C)-3', 5'- R(*Gp*Ap*Ap*Gp*Ap*Ap*Gp*Ap*A)-3' (pdb code 421d). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 421d structure was solved by Y.XIONG, M.SUNDARALINGAM, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-1.8 Space group P61 a (A) 48.080 b (A) 48.080 c (A) 42.880 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 20.1 Rfree (%) 23.7 Bromine Binding Sites: Bromine binding site 1 out of 1 in 421d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 421d. 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: Dt5, A: Cbr6, A: Dt7, A: Hoh111, A: Hoh125, A: Hoh128, conact list: Atom Atom Distance (A) Br N3 A:Dt5 4.30 Br C3' A:Dt5 4.15 Br H3 A:Dt5 4.91 Br C2 A:Dt5 4.39 Br C6 A:Dt5 3.64 Br N1 A:Dt5 4.06 Br C5 A:Dt5 3.58 Br C1' A:Dt5 4.83 Br C7 A:Dt5 3.96 Br O3' A:Dt5 4.88 Br C4 A:Dt5 3.97 Br C2' A:Dt5 4.40 Br O5' A:Dt5 4.84 Br O4 A:Dt5 4.55 Br N3 A:Cbr6 4.12 Br H41 A:Cbr6 4.09 Br H42 A:Cbr6 2.59 Br C2 A:Cbr6 4.60 Br C6 A:Cbr6 2.80 Br N1 A:Cbr6 4.08 Br C5 A:Cbr6 1.87 Br P A:Cbr6 4.55 Br C4 A:Cbr6 2.87 Br OP2 A:Cbr6 3.61 Br BR A:Cbr6 0.00 Br O5' A:Cbr6 4.42 Br N4 A:Cbr6 3.09 Br C5 A:Dt7 4.84 Br C7 A:Dt7 4.08 Br C4 A:Dt7 4.94 Br O4 A:Dt7 4.45 Br O A:Hoh111 3.85 Br H1 A:Hoh111 3.80 Br H2 A:Hoh111 3.54 Br O A:Hoh125 3.94 Br H1 A:Hoh125 4.28 Br H2 A:Hoh125 4.80 Br O A:Hoh128 4.41 Br H1 A:Hoh128 3.88 Br H2 A:Hoh128 4.49 interactive model: