Barium in PDB 1qyk: Gcatgct + Barium

The structure of Gcatgct + Barium, PDB code: 1qyk was solved by C.J.Cardin, Y.Gan, J.H.Thorpe, S.C.M.Teixeira, B.C.Gale, M.I.A.Moraes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.00 / 1.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	22.015, 59.536, 47.667, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 22.4

The binding sites of Barium atom in the Gcatgct + Barium (pdb code 1qyk). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 2 binding sites of Barium where determined in the Gcatgct + Barium, PDB code: 1qyk:
Jump to Barium binding site number: 1; 2;

Barium binding site 1 out of 2 in the Gcatgct + Barium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Gcatgct + Barium within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba8 b:31.8 occ:1.00 O A:HOH105 2.7 65.1 1.0 O A:HOH121 2.7 64.5 1.0 O A:HOH106 2.8 22.8 1.0 O A:HOH117 2.9 18.3 1.0 O A:HOH122 3.0 56.0 1.0 O A:HOH120 3.2 26.3 1.0 O A:HOH132 3.3 31.7 0.5 O A:HOH118 4.2 37.6 1.0 O A:HOH141 4.4 30.2 0.5 OP1 A:DA3 4.7 18.8 1.0 OP2 A:DA3 4.8 13.6 1.0

Barium binding site 2 out of 2 in the Gcatgct + Barium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Gcatgct + Barium within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba8 b:52.3 occ:1.00 O B:HOH131 2.5 54.5 0.5 O B:HOH130 2.7 49.0 0.5 OP1 B:DC6 2.7 23.4 1.0 OP1 B:DC2 3.0 18.9 1.0 O3' B:DG1 3.3 20.3 1.0 O3' B:DG5 3.3 18.3 1.0 P B:DC6 3.6 23.0 1.0 P B:DC2 3.8 18.6 1.0 C3' B:DG5 4.4 18.0 1.0 OP2 B:DC6 4.4 21.8 1.0 C5' B:DC2 4.4 12.1 1.0 C3' B:DG1 4.4 22.0 1.0 O B:HOH114 4.5 43.9 1.0 C4' B:DG1 4.6 23.8 1.0 O5' B:DC2 4.6 14.3 1.0 C4' B:DG5 4.7 17.2 1.0 O5' B:DC6 4.8 21.7 1.0 OP2 B:DC2 5.0 21.7 1.0

C.J.Cardin, Y.Gan, J.H.Thorpe, S.C.M.Teixeira, B.C.Gale, M.I.A.Moraes. Metal Ion Distribution and Stabilization of the Dna Quadruplex Structure Formed By D(Gcatgct) To Be Published.