Bromine in the structure of Crystal Structure of Dna Sheared Tandem G-A Base Pairs (pdb 1d9r)

The binding sites of Bromine atom in the structure of Crystal Structure of Dna Sheared Tandem G-A Base Pairs (pdb code 1d9r). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 1d9r structure was solved by Y.-G.GAO, H.ROBINSON, R.SANISHVILI, A.JOACHIMIAK, A.H.-J.WANG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-1.5 Space group C2221 a (A) 22.711 b (A) 67.216 c (A) 72.504 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 23.4 Rfree (%) 27.8 Bromine Binding Sites: Bromine binding site 1 out of 2 in 1d9r Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 1d9r. 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: Da5, A: Bru6, A: Dg7, A: Hoh1020, A: Hoh1021, A: Hoh1031, A: Hoh1036, A: Hoh1039, A: Hoh1062, A: Hoh1065, A: Hoh1103, conact list: Atom Atom Distance (A) Br N9 A:Da5 3.96 Br C8 A:Da5 3.47 Br C5 A:Da5 4.19 Br C1' A:Da5 4.64 Br N7 A:Da5 3.64 Br C4 A:Da5 4.41 Br C2' A:Da5 4.26 Br N3 A:Bru6 4.10 Br C2 A:Bru6 4.72 Br C6 A:Bru6 2.85 Br N1 A:Bru6 4.17 Br C5 A:Bru6 1.89 Br C4 A:Bru6 2.88 Br BR A:Bru6 0.00 Br O4 A:Bru6 3.12 Br N2 A:Dg7 4.82 Br C2 A:Dg7 4.41 Br C6 A:Dg7 3.76 Br N1 A:Dg7 3.62 Br C5 A:Dg7 4.67 Br O6 A:Dg7 3.62 Br O A:Hoh1020 3.56 Br O A:Hoh1021 4.02 Br O A:Hoh1031 4.34 Br O A:Hoh1036 3.73 Br O A:Hoh1039 4.06 Br O A:Hoh1062 4.09 Br O A:Hoh1065 4.83 Br O A:Hoh1103 3.74 interactive model: Bromine binding site 2 out of 2 in 1d9r Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 1d9r. 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: Da15, B: Bru16, B: Dg17, B: Hoh1027, B: Hoh1046, B: Hoh1060, B: Hoh1066, conact list: Atom Atom Distance (A) Br N9 B:Da15 3.93 Br C8 B:Da15 3.42 Br C5 B:Da15 4.37 Br C1' B:Da15 4.51 Br N7 B:Da15 3.72 Br C4 B:Da15 4.52 Br C2' B:Da15 4.14 Br N3 B:Bru16 4.10 Br C2 B:Bru16 4.67 Br C6 B:Bru16 2.81 Br N1 B:Bru16 4.12 Br C5 B:Bru16 1.87 Br C4 B:Bru16 2.87 Br BR B:Bru16 0.00 Br O4 B:Bru16 3.09 Br N3 B:Dg17 5.00 Br C2 B:Dg17 4.47 Br C6 B:Dg17 3.56 Br N1 B:Dg17 3.73 Br C5 B:Dg17 4.21 Br N7 B:Dg17 4.88 Br C4 B:Dg17 4.85 Br O6 B:Dg17 3.50 Br O B:Hoh1027 3.64 Br O B:Hoh1046 4.57 Br O B:Hoh1060 3.94 Br O B:Hoh1066 4.45 interactive model: