Barium in the structure of Barium Interactions With Z-Dna (pdb 3fqb)

The binding sites of Barium atom in the structure of Barium Interactions With Z-Dna (pdb code 3fqb). This binding sites where shown with 5.0 Angstroms radius around Barium atom. The 3fqb structure was solved by P.K.MANDAL, S.VENKADESH, N.VINAYAK, N.GAUTHAM, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 13.7-1.7 Space group P212121 a (A) 17.544 b (A) 30.512 c (A) 44.210 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.7 Rfree (%) 22.3 Barium Binding Sites: Barium binding site 1 out of 2 in 3fqb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Barium in the PDB 3fqb. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Barium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Da2, A: Dc3, A: Dg4, B: Dg8, B: Dc9, A: Ba7, A: Hoh30, conact list: Atom Atom Distance (A) Ba C2' A:Da2 4.98 Ba OP1 A:Dc3 2.74 Ba C6 A:Dc3 4.78 Ba C5 A:Dc3 4.93 Ba P A:Dc3 4.04 Ba OP2 A:Dc3 4.41 Ba C8 A:Dg4 4.24 Ba C6 A:Dg4 3.53 Ba N1 A:Dg4 4.85 Ba C5 A:Dg4 3.63 Ba N7 A:Dg4 3.08 Ba C4 A:Dg4 4.93 Ba O6 A:Dg4 2.84 Ba O6 B:Dg8 4.99 Ba N4 B:Dc9 4.72 Ba BA A:Ba7 0.00 Ba BA A:Ba7 1.32 Ba O A:Hoh30 2.56 interactive model: Barium binding site 2 out of 2 in 3fqb Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Barium in the PDB 3fqb. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Barium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Dc3, A: Dg4, A: Ba7, A: Hoh30, conact list: Atom Atom Distance (A) Ba OP1 A:Dc3 3.75 Ba P A:Dc3 4.87 Ba OP2 A:Dc3 4.91 Ba C8 A:Dg4 4.77 Ba C6 A:Dg4 4.63 Ba C5 A:Dg4 4.57 Ba N7 A:Dg4 3.75 Ba O6 A:Dg4 3.94 Ba BA A:Ba7 1.32 Ba BA A:Ba7 0.00 Ba O A:Hoh30 2.11 interactive model: