Copper in PDB 8bae: Copper(II) Bound to A Non-Canonical Quadruplex

The structure of Copper(II) Bound to A Non-Canonical Quadruplex, PDB code: 8bae was solved by M.C.Lambert, J.P.Hall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.57 / 1.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	21.954, 58.867, 45.601, 90, 90, 90
R / Rfree (%)	13.5 / 18.2

The structure of Copper(II) Bound to A Non-Canonical Quadruplex also contains other interesting chemical elements:

Cobalt

(Co)

5 atoms

The binding sites of Copper atom in the Copper(II) Bound to A Non-Canonical Quadruplex (pdb code 8bae). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Copper(II) Bound to A Non-Canonical Quadruplex, PDB code: 8bae:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Copper(II) Bound to A Non-Canonical Quadruplex


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Copper(II) Bound to A Non-Canonical Quadruplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu101 b:48.5 occ:0.66 O A:HOH225 2.0 32.4 0.8 O A:HOH229 2.1 48.8 0.9 N7 A:DG1 2.4 20.8 1.0 O A:HOH216 3.0 33.0 1.0 C8 A:DG1 3.3 18.5 1.0 H8 A:DG1 3.4 22.2 1.0 C5 A:DG1 3.5 18.9 1.0 H41 A:DC2 3.6 12.1 1.0 O6 A:DG1 3.7 25.6 1.0 C6 A:DG1 4.0 20.7 1.0 N4 A:DC2 4.1 10.0 1.0 H42 A:DC2 4.4 12.1 1.0 H4' A:DT7 4.5 34.4 1.0 H1' A:DT7 4.5 36.1 1.0 N9 A:DG1 4.6 18.4 1.0 H5 A:DC2 4.6 11.8 1.0 C4 A:DG1 4.6 17.1 1.0 O A:HOH233 4.8 43.1 1.0 C4 A:DC2 4.9 9.5 1.0 HO3' A:DT7 4.9 39.6 1.0 O4' A:DT7 4.9 28.9 1.0

Copper binding site 2 out of 2 in the Copper(II) Bound to A Non-Canonical Quadruplex


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Copper(II) Bound to A Non-Canonical Quadruplex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu101 b:14.7 occ:0.22 O B:HOH220 1.5 29.6 0.7 O B:HOH201 1.9 30.3 0.8 N7 B:DG1 1.9 9.0 0.4 O B:HOH210 1.9 27.5 0.5 N7 B:DG1 2.0 13.7 0.6 O B:HOH225 2.8 28.0 1.0 C8 B:DG1 2.9 9.4 0.4 C5 B:DG1 2.9 10.9 0.4 C8 B:DG1 2.9 13.3 0.6 H8 B:DG1 3.0 16.0 0.6 H8 B:DG1 3.1 11.3 0.4 C5 B:DG1 3.2 13.4 0.6 O6 B:DG1 3.2 16.2 0.4 C6 B:DG1 3.4 13.0 0.4 H4' B:DT7 3.5 21.8 0.4 O6 B:DG1 3.6 18.6 0.6 H41 B:DC2 3.6 9.6 1.0 C6 B:DG1 3.7 13.5 0.6 H4' B:DT7 3.9 35.0 0.6 N4 B:DC2 4.0 7.9 1.0 N9 B:DG1 4.1 9.1 0.4 C4 B:DG1 4.1 9.5 0.4 HO3' B:DT7 4.1 37.0 0.6 H1' B:DT7 4.1 36.1 0.6 O B:HOH214 4.1 23.6 0.8 H42 B:DC2 4.1 9.6 1.0 N9 B:DG1 4.2 12.5 0.6 O4' B:DT7 4.2 19.0 0.4 C4 B:DG1 4.3 12.6 0.6 C4' B:DT7 4.3 18.2 0.4 O4' B:DT7 4.4 29.7 0.6 HO5' B:DG1 4.5 11.9 0.6 O3' B:DT7 4.5 22.7 0.4 C4' B:DT7 4.6 29.2 0.6 O B:HOH229 4.6 35.1 1.0 H1' B:DT7 4.7 23.6 0.4 HO3' B:DT7 4.7 27.3 0.4 O3' B:DT7 4.7 30.8 0.6 C4 B:DC2 4.8 7.0 1.0 C1' B:DT7 4.8 30.1 0.6 N1 B:DG1 4.8 12.2 0.4 H5 B:DC2 4.8 8.8 1.0

M.C.Lambert, J.A.Brazier, C.J.Cardin, J.P.Hall. Oxidative Damage Induce Copper(II)-Dna Binding To Be Published.