Bromine in the structure of Crystal Structure of 7-Aminoactinomycin D With Non-Complementary Dna (pdb 1unm)

The binding sites of Bromine atom in the structure of Crystal Structure of 7-Aminoactinomycin D With Non-Complementary Dna (pdb code 1unm). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 1unm structure was solved by E.C.ALEXOPOULOS, R.KLEMENT, E.A.JARES-ERIJMAN, I.USON, T.M.JOVIN, G.M.SHELDRICK, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.0 Space group C2221 a (A) 51.586 b (A) 70.975 c (A) 39.453 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 24.31 Rfree (%) 28.09 Bromine Binding Sites: Bromine binding site 1 out of 4 in 1unm Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 1unm. 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: Bru5, A: Dt6, E: Px16, A: Hoh2004, conact list: Atom Atom Distance (A) Br N3 A:Bru5 4.09 Br C2 A:Bru5 4.63 Br C6 A:Bru5 2.81 Br N1 A:Bru5 4.07 Br C5 A:Bru5 1.85 Br C4 A:Bru5 2.85 Br BR A:Bru5 0.00 Br O4 A:Bru5 3.11 Br C7 A:Dt6 4.54 Br O4 A:Dt6 4.68 Br N7 E:Px16 4.70 Br O A:Hoh2004 4.41 interactive model: Bromine binding site 2 out of 4 in 1unm Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 1unm. 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: Bru5, F: Px16, B: Hoh2002, conact list: Atom Atom Distance (A) Br N3 B:Bru5 4.06 Br C2 B:Bru5 4.64 Br C6 B:Bru5 2.85 Br N1 B:Bru5 4.10 Br C5 B:Bru5 1.85 Br C4 B:Bru5 2.80 Br BR B:Bru5 0.00 Br O4 B:Bru5 3.01 Br O3 F:Px16 4.80 Br O B:Hoh2002 3.11 interactive model: Bromine binding site 3 out of 4 in 1unm Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Bromine in the PDB 1unm. 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: Dt2, C: Dg4, C: Bru5, E: Px16, C: Hoh2004, C: Hoh2005, conact list: Atom Atom Distance (A) Br OP1 C:Dt2 4.72 Br C5' C:Dt2 4.71 Br O5' C:Dt2 4.98 Br C8 C:Dg4 4.81 Br N7 C:Dg4 4.97 Br N3 C:Bru5 4.06 Br C2 C:Bru5 4.60 Br C6 C:Bru5 2.81 Br N1 C:Bru5 4.05 Br C5 C:Bru5 1.84 Br C4 C:Bru5 2.81 Br BR C:Bru5 0.00 Br O4 C:Bru5 2.97 Br O3 E:Px16 4.01 Br C4 E:Px16 4.81 Br C3 E:Px16 4.77 Br C15 E:Px16 3.81 Br O C:Hoh2004 4.17 Br O C:Hoh2005 3.39 interactive model: Bromine binding site 4 out of 4 in 1unm Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Bromine in the PDB 1unm. 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: Bru5, D: Dt6, F: Px16, conact list: Atom Atom Distance (A) Br N3 D:Bru5 4.07 Br C2 D:Bru5 4.61 Br C6 D:Bru5 2.79 Br N1 D:Bru5 4.04 Br C5 D:Bru5 1.85 Br C4 D:Bru5 2.84 Br BR D:Bru5 0.00 Br O4 D:Bru5 3.08 Br C7 D:Dt6 4.58 Br O4 D:Dt6 4.88 Br N7 F:Px16 4.81 interactive model: