Barium in the structure of The Crystal Structure of R(Ggucacagccc)2, Barium Form (pdb 1kd4)

The binding sites of Barium atom in the structure of The Crystal Structure of R(Ggucacagccc)2, Barium Form (pdb code 1kd4). This binding sites where shown with 5.0 Angstroms radius around Barium atom. The 1kd4 structure was solved by V.KACER, S.A.SCARINGE, J.N.SCARSDALE, J.P.RIFE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.9 Space group P43 a (A) 39.990 b (A) 39.990 c (A) 52.620 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.3 Rfree (%) 22.2 Barium Binding Sites: Barium binding site 1 out of 2 in 1kd4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Barium in the PDB 1kd4. 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: G2, A: U3, B: C6, B: A7, B: G8, B: C9, A: Hoh70, A: Hoh98, A: Hoh102, A: Hoh147, B: Hoh72, B: Hoh75, B: Hoh82, B: Hoh141, conact list: Atom Atom Distance (A) Ba C6 A:G2 3.84 Ba N1 A:G2 4.85 Ba C5 A:G2 4.57 Ba N7 A:G2 4.60 Ba O6 A:G2 2.81 Ba N3 A:U3 4.00 Ba C4 A:U3 3.72 Ba O4 A:U3 2.73 Ba OP2 B:C6 4.62 Ba N7 B:A7 4.82 Ba OP2 B:A7 4.80 Ba C6 B:G8 4.08 Ba C5 B:G8 4.73 Ba N7 B:G8 4.59 Ba O6 B:G8 2.94 Ba N4 B:C9 4.14 Ba O A:Hoh70 2.73 Ba O A:Hoh98 4.39 Ba O A:Hoh102 4.65 Ba O A:Hoh147 2.76 Ba O B:Hoh72 2.75 Ba O B:Hoh75 2.71 Ba O B:Hoh82 2.82 Ba O B:Hoh141 2.74 interactive model: Barium binding site 2 out of 2 in 1kd4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Barium in the PDB 1kd4. 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: C6, A: A7, A: G8, A: C9, B: G2, B: U3, A: Hoh73, A: Hoh81, A: Hoh158, A: Hoh174, A: Hoh175, B: Hoh84, B: Hoh95, B: Hoh99, B: Hoh134, conact list: Atom Atom Distance (A) Ba OP2 A:C6 4.66 Ba N7 A:A7 4.85 Ba C6 A:G8 4.07 Ba C5 A:G8 4.72 Ba N7 A:G8 4.59 Ba O6 A:G8 2.93 Ba N4 A:C9 4.14 Ba C6 B:G2 3.85 Ba N1 B:G2 4.88 Ba C5 B:G2 4.57 Ba N7 B:G2 4.58 Ba O6 B:G2 2.81 Ba N3 B:U3 3.99 Ba C5 B:U3 5.00 Ba C4 B:U3 3.71 Ba O4 B:U3 2.70 Ba O A:Hoh73 2.67 Ba O A:Hoh81 2.81 Ba O A:Hoh158 4.74 Ba O A:Hoh174 2.79 Ba O A:Hoh175 2.68 Ba O B:Hoh84 2.66 Ba O B:Hoh95 4.61 Ba O B:Hoh99 4.67 Ba O B:Hoh134 2.71 interactive model: