Bromine in the structure of Crystal Structures of D(Ccgggcc(Br)5CGG)-Hexagonal Form (pdb 318d)

The binding sites of Bromine atom in the structure of Crystal Structures of D(Ccgggcc(Br)5CGG)-Hexagonal Form (pdb code 318d). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 318d structure was solved by D.B.TIPPIN, M.SUNDARALINGAM, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-2.0 Space group P61 a (A) 55.680 b (A) 55.680 c (A) 46.240 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 16.2 Rfree (%) 18 Bromine Binding Sites: Bromine binding site 1 out of 2 in 318d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 318d. 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: Dc7, A: Cbr8, A: Dg9, A: Hoh26, A: Hoh27, A: Hoh84, A: Hoh105, A: Hoh106, conact list: Atom Atom Distance (A) Br N3 A:Dc7 3.80 Br C3' A:Dc7 3.99 Br C2 A:Dc7 3.70 Br C6 A:Dc7 3.69 Br N1 A:Dc7 3.63 Br C5 A:Dc7 3.81 Br C1' A:Dc7 4.35 Br O2 A:Dc7 4.31 Br O3' A:Dc7 4.78 Br C4 A:Dc7 3.85 Br C2' A:Dc7 3.98 Br N4 A:Dc7 4.58 Br N3 A:Cbr8 4.14 Br C2 A:Cbr8 4.63 Br C6 A:Cbr8 2.74 Br N1 A:Cbr8 4.04 Br C5 A:Cbr8 1.86 Br P A:Cbr8 4.66 Br C4 A:Cbr8 2.90 Br OP2 A:Cbr8 3.97 Br BR A:Cbr8 0.00 Br O5' A:Cbr8 4.37 Br N4 A:Cbr8 3.15 Br C8 A:Dg9 4.77 Br N7 A:Dg9 4.35 Br O A:Hoh26 3.85 Br O A:Hoh27 4.67 Br O A:Hoh84 4.48 Br O A:Hoh105 4.31 Br O A:Hoh106 4.12 interactive model: Bromine binding site 2 out of 2 in 318d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 318d. 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: Dc17, B: Cbr18, B: Hoh21, B: Hoh43, B: Hoh49, conact list: Atom Atom Distance (A) Br N3 B:Dc17 4.07 Br C3' B:Dc17 4.27 Br C2 B:Dc17 4.20 Br C6 B:Dc17 3.76 Br N1 B:Dc17 4.03 Br C5 B:Dc17 3.66 Br C1' B:Dc17 4.84 Br C4 B:Dc17 3.82 Br C2' B:Dc17 4.56 Br N4 B:Dc17 4.41 Br N3 B:Cbr18 4.03 Br C2 B:Cbr18 4.53 Br C6 B:Cbr18 2.70 Br N1 B:Cbr18 3.97 Br C5 B:Cbr18 1.81 Br P B:Cbr18 4.77 Br C4 B:Cbr18 2.81 Br OP2 B:Cbr18 3.93 Br BR B:Cbr18 0.00 Br O5' B:Cbr18 4.43 Br N4 B:Cbr18 2.99 Br O B:Hoh21 3.93 Br O B:Hoh43 4.19 Br O B:Hoh49 3.01 interactive model: