Cobalt 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:

Copper

(Cu)

2 atoms

The binding sites of Cobalt 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 Cobalt atom.
In total 5 binding sites of Cobalt where determined in the Copper(II) Bound to A Non-Canonical Quadruplex, PDB code: 8bae:
Jump to Cobalt binding site number: 1; 2; 3; 4; 5;

Cobalt binding site 1 out of 5 in the Copper(II) Bound to A Non-Canonical Quadruplex


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co 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:Co102 b:8.0 occ:0.69 CO A:NCO102 0.0 8.0 0.7 N4 A:NCO102 2.0 6.9 0.9 N6 A:NCO102 2.0 6.7 0.9 N1 A:NCO102 2.0 5.9 0.8 N2 A:NCO102 2.0 7.2 0.9 N5 A:NCO102 2.0 7.5 1.0 N3 A:NCO102 2.0 6.1 0.8 HN41 A:NCO102 2.5 8.4 0.9 HN42 A:NCO102 2.5 8.4 1.0 HN43 A:NCO102 2.5 8.4 1.0 HN63 A:NCO102 2.5 8.1 1.0 HN61 A:NCO102 2.5 8.1 0.9 HN62 A:NCO102 2.5 8.1 0.9 HN11 A:NCO102 2.5 7.2 0.9 HN12 A:NCO102 2.5 7.2 0.9 HN13 A:NCO102 2.5 7.2 0.9 HN21 A:NCO102 2.5 8.6 1.0 HN52 A:NCO102 2.5 9.1 0.9 HN53 A:NCO102 2.5 9.1 1.0 HN22 A:NCO102 2.5 8.6 0.9 HN23 A:NCO102 2.5 8.6 0.9 HN51 A:NCO102 2.5 9.1 1.0 HN31 A:NCO102 2.5 7.3 0.9 HN33 A:NCO102 2.5 7.3 0.9 HN32 A:NCO102 2.5 7.3 0.9 O A:HOH220 4.1 29.6 0.9 OP1 A:DA3 4.1 8.3 1.0 O A:HOH215 4.1 9.2 1.0 O A:HOH226 4.1 13.7 1.0 OP2 A:DA3 4.2 7.5 1.0 O A:HOH219 4.3 8.4 0.8 O A:HOH223 4.7 15.6 0.4 P A:DA3 4.7 6.9 1.0 O A:HOH206 5.0 16.4 0.5

Cobalt binding site 2 out of 5 in the Copper(II) Bound to A Non-Canonical Quadruplex


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Copper(II) Bound to A Non-Canonical Quadruplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Co103 b:27.0 occ:0.51 CO A:NCO103 0.0 27.0 0.5 N6 A:NCO103 2.0 25.7 0.8 N4 A:NCO103 2.0 27.4 0.9 N1 A:NCO103 2.0 27.9 1.0 N2 A:NCO103 2.0 27.6 0.9 N3 A:NCO103 2.0 27.9 0.8 N5 A:NCO103 2.0 27.6 0.7 HN62 A:NCO103 2.5 30.9 0.8 HN63 A:NCO103 2.5 30.9 0.7 HN13 A:NCO103 2.5 33.4 0.8 HN11 A:NCO103 2.5 33.4 0.8 HN43 A:NCO103 2.5 32.9 0.7 HN12 A:NCO103 2.5 33.4 0.8 HN61 A:NCO103 2.5 30.9 0.7 HN42 A:NCO103 2.5 32.9 0.8 HN41 A:NCO103 2.5 32.9 0.8 HN33 A:NCO103 2.5 33.5 0.8 HN32 A:NCO103 2.5 33.5 0.8 HN23 A:NCO103 2.5 33.1 0.8 HN21 A:NCO103 2.5 33.1 0.8 HN22 A:NCO103 2.5 33.1 0.8 HN31 A:NCO103 2.5 33.5 0.8 HN51 A:NCO103 2.5 33.2 0.8 HN52 A:NCO103 2.5 33.2 0.8 HN53 A:NCO103 2.5 33.2 0.8 OP1 A:DC2 3.8 22.0 1.0 OP1 A:DC6 3.9 25.4 1.0 O A:HOH224 4.2 39.8 0.9 O3' A:DG5 4.9 18.9 1.0 P A:DC2 4.9 19.1 1.0 O3' A:DG1 4.9 20.3 1.0 P A:DC6 5.0 22.0 1.0

Cobalt binding site 3 out of 5 in the Copper(II) Bound to A Non-Canonical Quadruplex


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Copper(II) Bound to A Non-Canonical Quadruplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Co104 b:52.7 occ:0.45 CO A:NCO104 0.0 52.7 0.5 N2 A:NCO104 2.0 53.7 0.7 N4 A:NCO104 2.0 53.6 0.5 N3 A:NCO104 2.0 53.5 0.5 N5 A:NCO104 2.0 52.4 1.0 N6 A:NCO104 2.0 53.9 0.7 N1 A:NCO104 2.0 54.7 0.6 HN23 A:NCO104 2.5 64.5 0.5 HN32 A:NCO104 2.5 64.2 0.5 HN33 A:NCO104 2.5 64.2 0.5 HN21 A:NCO104 2.5 64.5 0.6 HN42 A:NCO104 2.5 64.3 0.5 HN41 A:NCO104 2.5 64.3 0.5 HN62 A:NCO104 2.5 64.7 0.5 HN22 A:NCO104 2.5 64.5 0.5 HN51 A:NCO104 2.5 63.0 0.6 HN52 A:NCO104 2.5 63.0 0.6 HN43 A:NCO104 2.5 64.3 0.5 HN53 A:NCO104 2.5 63.0 0.6 HN61 A:NCO104 2.5 64.7 0.5 HN12 A:NCO104 2.5 65.6 0.6 HN13 A:NCO104 2.5 65.6 0.6 HN63 A:NCO104 2.5 64.7 0.5 HN31 A:NCO104 2.5 64.2 0.5 HN11 A:NCO104 2.5 65.6 0.5 OP2 A:DC6 4.4 22.9 1.0 OP1 A:DC6 4.9 25.4 1.0

Cobalt binding site 4 out of 5 in the Copper(II) Bound to A Non-Canonical Quadruplex


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Copper(II) Bound to A Non-Canonical Quadruplex within 5.0Å range: probe atom residue distance (Å) B Occ B:Co102 b:22.2 occ:0.18 CO B:NCO102 0.0 22.2 0.2 HN21 B:NCO102 1.2 14.5 0.1 N2 B:NCO102 1.3 12.0 0.0 HN63 B:NCO102 1.4 14.7 0.1 N6 B:NCO102 1.6 12.2 0.1 CO B:NCO102 1.6 12.1 0.1 HN22 B:NCO102 2.0 14.5 0.3 N4 B:NCO102 2.0 22.7 0.6 N1 B:NCO102 2.0 23.9 0.4 N3 B:NCO102 2.0 24.4 0.4 N5 B:NCO102 2.0 21.2 0.4 N2 B:NCO102 2.0 23.0 0.8 N6 B:NCO102 2.0 23.1 0.4 HN62 B:NCO102 2.1 14.7 0.2 HN23 B:NCO102 2.2 14.5 0.2 N5 B:NCO102 2.3 13.8 0.1 HN51 B:NCO102 2.3 16.6 0.2 HN61 B:NCO102 2.5 14.7 0.3 HN41 B:NCO102 2.5 27.3 0.4 HN43 B:NCO102 2.5 27.3 0.3 HN42 B:NCO102 2.5 27.3 0.4 HN33 B:NCO102 2.5 29.3 0.3 HN23 B:NCO102 2.5 27.6 0.4 HN53 B:NCO102 2.5 25.5 0.3 HN32 B:NCO102 2.5 29.3 0.3 HN11 B:NCO102 2.5 28.7 0.4 HN13 B:NCO102 2.5 28.7 0.3 HN12 B:NCO102 2.5 28.7 0.4 HN51 B:NCO102 2.5 25.5 0.3 HN31 B:NCO102 2.5 29.3 0.4 HN52 B:NCO102 2.5 25.5 0.4 HN22 B:NCO102 2.5 27.6 0.4 HN62 B:NCO102 2.5 27.8 0.3 HN61 B:NCO102 2.5 27.8 0.4 HN21 B:NCO102 2.5 27.6 0.4 HN63 B:NCO102 2.5 27.8 0.3 HN53 B:NCO102 2.5 16.6 0.2 N3 B:NCO102 2.8 13.2 0.2 HN31 B:NCO102 2.9 15.8 0.2 HN32 B:NCO102 3.1 15.8 0.1 HN52 B:NCO102 3.3 16.6 0.2 N4 B:NCO102 3.3 12.7 0.3 N1 B:NCO102 3.4 12.1 0.2 HN41 B:NCO102 3.5 15.2 0.3 HN11 B:NCO102 3.5 14.6 0.2 HN42 B:NCO102 3.6 15.2 0.2 HN33 B:NCO102 3.7 15.8 0.2 HN13 B:NCO102 3.9 14.6 0.2 O B:HOH208 3.9 23.9 0.7 HN12 B:NCO102 4.0 14.6 0.2 HN43 B:NCO102 4.0 15.2 0.1 O A:HOH213 4.1 14.9 0.8 OP2 B:DT4 4.2 18.0 1.0 O B:HOH217 4.3 11.7 0.8 OP1 B:DT4 4.4 18.4 1.0 P B:DT4 4.7 14.7 1.0

Cobalt binding site 5 out of 5 in the Copper(II) Bound to A Non-Canonical Quadruplex


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 5 of Copper(II) Bound to A Non-Canonical Quadruplex within 5.0Å range: probe atom residue distance (Å) B Occ B:Co102 b:12.1 occ:0.14 CO B:NCO102 0.0 12.1 0.1 N1 B:NCO102 0.4 23.9 0.4 HN12 B:NCO102 1.0 28.7 0.4 HN11 B:NCO102 1.3 28.7 0.4 HN13 B:NCO102 1.4 28.7 0.3 CO B:NCO102 1.6 22.2 0.2 N3 B:NCO102 2.0 13.2 0.2 N4 B:NCO102 2.0 12.7 0.3 N2 B:NCO102 2.0 12.0 0.0 N6 B:NCO102 2.0 12.2 0.1 N1 B:NCO102 2.0 12.1 0.2 N5 B:NCO102 2.0 13.8 0.1 HN33 B:NCO102 2.3 29.3 0.3 HN42 B:NCO102 2.4 27.3 0.4 N3 B:NCO102 2.4 24.4 0.4 N4 B:NCO102 2.5 22.7 0.6 HN31 B:NCO102 2.5 15.8 0.2 HN23 B:NCO102 2.5 14.5 0.2 HN22 B:NCO102 2.5 14.5 0.3 HN42 B:NCO102 2.5 15.2 0.2 HN43 B:NCO102 2.5 15.2 0.1 HN61 B:NCO102 2.5 14.7 0.3 HN33 B:NCO102 2.5 15.8 0.2 HN32 B:NCO102 2.5 15.8 0.1 HN41 B:NCO102 2.5 15.2 0.3 HN11 B:NCO102 2.5 14.6 0.2 HN53 B:NCO102 2.5 16.6 0.2 HN62 B:NCO102 2.5 14.7 0.2 HN63 B:NCO102 2.5 14.7 0.1 HN21 B:NCO102 2.5 14.5 0.1 HN12 B:NCO102 2.5 14.6 0.2 HN52 B:NCO102 2.5 16.6 0.2 HN13 B:NCO102 2.5 14.6 0.2 HN51 B:NCO102 2.5 16.6 0.2 N6 B:NCO102 2.6 23.1 0.4 HN61 B:NCO102 2.7 27.8 0.4 HN52 B:NCO102 2.7 25.5 0.4 N5 B:NCO102 2.7 21.2 0.4 HN31 B:NCO102 2.9 29.3 0.4 HN62 B:NCO102 2.9 27.8 0.3 HN43 B:NCO102 3.1 27.3 0.3 HN51 B:NCO102 3.2 25.5 0.3 HN32 B:NCO102 3.3 29.3 0.3 HN41 B:NCO102 3.3 27.3 0.4 HN63 B:NCO102 3.5 27.8 0.3 HN53 B:NCO102 3.6 25.5 0.3 N2 B:NCO102 3.6 23.0 0.8 O B:HOH217 3.9 11.7 0.8 O A:HOH213 3.9 14.9 0.8 HN23 B:NCO102 4.0 27.6 0.4 HN21 B:NCO102 4.1 27.6 0.4 HN22 B:NCO102 4.1 27.6 0.4 O B:HOH208 4.9 23.9 0.7

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