Barium in the structure of Crystal Structure of D(Cxctxcttc):R(Gaagaagag) Where X Is 5- (N-Aminohexyl)Carbamoyl-2'-O-Methyluridine (pdb 2dqo)

The binding sites of Barium atom in the structure of Crystal Structure of D(Cxctxcttc):R(Gaagaagag) Where X Is 5- (N-Aminohexyl)Carbamoyl-2'-O-Methyluridine (pdb code 2dqo). This binding sites where shown with 5.0 Angstroms radius around Barium atom. The 2dqo structure was solved by E.C.M.JUAN, J.KONDO, T.ITO, Y.UENO, A.MATSUDA, A.TAKENAKA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-2.3 Space group P61 a (A) 51.400 b (A) 51.400 c (A) 44.200 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 21.6 Rfree (%) 27.6 Barium Binding Sites: Barium binding site 1 out of 2 in 2dqo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Barium in the PDB 2dqo. 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: B: A12, B: G13, B: A14, A: Hoh209, A: Hoh232, B: Hoh209, B: Hoh213, B: Hoh216, B: Hoh220, B: Hoh221, B: Hoh227, conact list: Atom Atom Distance (A) Ba N9 B:A12 4.89 Ba C8 B:A12 3.99 Ba C6 B:A12 4.21 Ba C5 B:A12 3.86 Ba N6 B:A12 3.99 Ba N7 B:A12 3.25 Ba C4 B:A12 4.82 Ba C8 B:G13 4.17 Ba C6 B:G13 3.63 Ba C5 B:G13 3.64 Ba N7 B:G13 3.00 Ba C4 B:G13 4.97 Ba O6 B:G13 2.99 Ba N6 B:A14 4.64 Ba O A:Hoh209 4.72 Ba O A:Hoh232 3.01 Ba O B:Hoh209 4.92 Ba O B:Hoh213 3.60 Ba O B:Hoh216 2.87 Ba O B:Hoh220 2.72 Ba O B:Hoh221 2.95 Ba O B:Hoh227 2.73 interactive model: Barium binding site 2 out of 2 in 2dqo Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Barium in the PDB 2dqo. 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: B: A17, B: G18, B: Hoh218, conact list: Atom Atom Distance (A) Ba N9 B:A17 4.84 Ba C8 B:A17 3.85 Ba C6 B:A17 4.07 Ba C5 B:A17 3.73 Ba N6 B:A17 3.74 Ba N7 B:A17 3.02 Ba C4 B:A17 4.79 Ba OP2 B:A17 4.95 Ba N7 B:G18 4.89 Ba O B:Hoh218 3.06 interactive model: