Bromine in the structure of Synthetic Dna Hairpin With Stilbenediether Linker (pdb 1cs7)

The binding sites of Bromine atom in the structure of Synthetic Dna Hairpin With Stilbenediether Linker (pdb code 1cs7). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 1cs7 structure was solved by F.D.LEWIS, X.LIU, Y.WU, S.E.MILLER, M.R.WASIELEWSKI, R.L.LETSINGER, R.SANISHVILI, A.JOACHIMIAK, V.TERESHKO, M.EGLI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-3.2 Space group P1211 a (A) 27.760 b (A) 67.890 c (A) 61.830 alpha (°) 90.00 beta (°) 96.80 gamma (°) 90.00 Rfactor (%) 25.7 Rfree (%) 26.6 Bromine Binding Sites: Bromine binding site 1 out of 4 in 1cs7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 1cs7. 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: Dg1, A: Bru2, A: Dt3, conact list: Atom Atom Distance (A) Br N9 A:Dg1 3.67 Br N3 A:Dg1 4.85 Br C3' A:Dg1 4.74 Br C8 A:Dg1 3.50 Br C5 A:Dg1 4.11 Br C1' A:Dg1 4.16 Br N7 A:Dg1 3.80 Br C4 A:Dg1 4.07 Br C2' A:Dg1 3.49 Br O5' A:Dg1 4.33 Br N3 A:Bru2 4.15 Br C2 A:Bru2 4.73 Br C6 A:Bru2 2.83 Br N1 A:Bru2 4.15 Br C5 A:Bru2 1.88 Br C4 A:Bru2 2.90 Br BR A:Bru2 0.00 Br O4 A:Bru2 3.18 Br C7 A:Dt3 4.64 Br O4 A:Dt3 4.97 interactive model: Bromine binding site 2 out of 4 in 1cs7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 1cs7. 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: Dg101, B: Bru102, conact list: Atom Atom Distance (A) Br N9 B:Dg101 3.50 Br N3 B:Dg101 4.50 Br C3' B:Dg101 4.78 Br C8 B:Dg101 3.43 Br C6 B:Dg101 4.70 Br C5 B:Dg101 3.86 Br C1' B:Dg101 4.04 Br N7 B:Dg101 3.68 Br C4 B:Dg101 3.78 Br C2' B:Dg101 3.45 Br O5' B:Dg101 4.66 Br N3 B:Bru102 4.13 Br C2 B:Bru102 4.71 Br C6 B:Bru102 2.84 Br N1 B:Bru102 4.14 Br C5 B:Bru102 1.88 Br C4 B:Bru102 2.87 Br BR B:Bru102 0.00 Br O4 B:Bru102 3.13 interactive model: Bromine binding site 3 out of 4 in 1cs7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Bromine in the PDB 1cs7. 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: C: Dg201, C: Bru202, conact list: Atom Atom Distance (A) Br N9 C:Dg201 3.66 Br N3 C:Dg201 4.74 Br C8 C:Dg201 3.47 Br C6 C:Dg201 4.77 Br C5 C:Dg201 3.94 Br C1' C:Dg201 4.23 Br N7 C:Dg201 3.67 Br C4 C:Dg201 3.95 Br C2' C:Dg201 3.63 Br N3 C:Bru202 4.14 Br C2 C:Bru202 4.71 Br C6 C:Bru202 2.83 Br N1 C:Bru202 4.13 Br C5 C:Bru202 1.88 Br C4 C:Bru202 2.89 Br BR C:Bru202 0.00 Br O4 C:Bru202 3.15 interactive model: Bromine binding site 4 out of 4 in 1cs7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Bromine in the PDB 1cs7. 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: D: Dg301, D: Bru302, conact list: Atom Atom Distance (A) Br N9 D:Dg301 3.58 Br N3 D:Dg301 4.75 Br C8 D:Dg301 3.38 Br C6 D:Dg301 4.84 Br C5 D:Dg301 3.95 Br C1' D:Dg301 4.10 Br N7 D:Dg301 3.64 Br C4 D:Dg301 3.94 Br C2' D:Dg301 3.65 Br N3 D:Bru302 4.14 Br C2 D:Bru302 4.71 Br C6 D:Bru302 2.83 Br N1 D:Bru302 4.14 Br C5 D:Bru302 1.88 Br C4 D:Bru302 2.89 Br OP2 D:Bru302 4.58 Br BR D:Bru302 0.00 Br O4 D:Bru302 3.17 interactive model: