Barium in the structure of Barium Bound to the Holliday Sequence D(Ccggcgccgg)4 (pdb 3goj)

The binding sites of Barium atom in the structure of Barium Bound to the Holliday Sequence D(Ccggcgccgg)4 (pdb code 3goj). This binding sites where shown with 5.0 Angstroms radius around Barium atom. The 3goj structure was solved by A.NASEER, C.J.CARDIN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.6-2.6 Space group C121 a (A) 65.243 b (A) 24.241 c (A) 37.281 alpha (°) 90.00 beta (°) 110.17 gamma (°) 90.00 Rfactor (%) 23.6 Rfree (%) 34.7 Barium Binding Sites: Barium binding site 1 out of 4 in 3goj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Barium in the PDB 3goj. 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: Dg3, A: Dg4, B: Dg16, B: Dc17, A: Hoh44, A: Hoh53, B: Hoh27, B: Hoh43, conact list: Atom Atom Distance (A) Ba N9 A:Dg3 4.96 Ba C8 A:Dg3 3.89 Ba C6 A:Dg3 4.69 Ba C5 A:Dg3 4.19 Ba N7 A:Dg3 3.29 Ba O6 A:Dg3 4.52 Ba C6 A:Dg4 3.97 Ba C5 A:Dg4 4.51 Ba N7 A:Dg4 4.25 Ba O6 A:Dg4 2.88 Ba N7 B:Dg16 4.91 Ba O6 B:Dg16 4.89 Ba N4 B:Dc17 3.88 Ba O A:Hoh44 4.69 Ba O A:Hoh53 2.39 Ba O B:Hoh27 2.46 Ba O B:Hoh43 4.46 interactive model: Barium binding site 2 out of 4 in 3goj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Barium in the PDB 3goj. 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: Dc7, conact list: Atom Atom Distance (A) Ba N4 A:Dc7 3.81 interactive model: Barium binding site 3 out of 4 in 3goj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Barium in the PDB 3goj. 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: Dg9, A: Dg10, A: Hoh33, A: Hoh40, conact list: Atom Atom Distance (A) Ba N2 A:Dg9 4.58 Ba N3 A:Dg10 4.65 Ba N2 A:Dg10 4.26 Ba C2 A:Dg10 4.92 Ba O A:Hoh33 4.27 Ba O A:Hoh40 2.38 interactive model: Barium binding site 4 out of 4 in 3goj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Barium in the PDB 3goj. 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: Dg3, B: Dg19, B: Dg20, A: Hoh26, B: Hoh34, B: Hoh37, B: Hoh39, conact list: Atom Atom Distance (A) Ba N2 A:Dg3 4.69 Ba N2 B:Dg19 4.79 Ba O4' B:Dg20 4.28 Ba C4' B:Dg20 4.59 Ba O A:Hoh26 3.03 Ba O B:Hoh34 4.65 Ba O B:Hoh37 4.59 Ba O B:Hoh39 2.51 interactive model: