Copper in PDB 8oe8: Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour

The structure of Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour, PDB code: 8oe8 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)	21.43 / 1.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	18.346, 30.665, 42.859, 89.98, 90.06, 89.94
R / Rfree (%)	16.9 / 20.9

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Copper atom in the Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour (pdb code 8oe8). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 11 binding sites of Copper where determined in the Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour, PDB code: 8oe8:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Copper binding site 1 out of 11 in the Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu101 b:67.0 occ:1.00 O E:HOH208 2.2 30.4 0.8 N7 A:DG4 2.4 13.5 1.0 C3 A:SPM103 2.4 15.0 0.7 N5 A:SPM103 2.5 14.4 0.7 C4 A:SPM103 2.7 15.7 0.7 C8 A:DG4 3.3 14.1 1.0 C5 A:DG4 3.4 10.8 1.0 H8 A:DG4 3.4 16.9 1.0 C6 A:SPM103 3.4 18.0 0.7 C2 A:SPM103 3.5 14.2 0.7 O6 A:DG4 3.5 12.6 1.0 C6 A:DG4 3.8 12.8 1.0 O E:HOH214 3.9 12.8 0.6 N1 A:SPM103 4.1 13.5 0.7 OP1 E:DC5 4.1 19.3 0.7 OP2 E:DC5 4.2 21.5 0.3 H5' A:DC3 4.4 15.4 1.0 N9 A:DG4 4.5 13.1 1.0 C4 A:DG4 4.5 12.8 1.0 O A:HOH202 4.6 21.7 0.6 H41 A:DC5 4.7 17.8 0.7 H41 A:DC5 4.8 13.5 0.3

Copper binding site 2 out of 11 in the Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu102 b:59.0 occ:0.58 N7 A:DG2 2.5 18.3 1.0 O A:HOH218 2.9 53.5 1.0 O A:HOH213 2.9 42.8 1.0 H8 A:DG2 3.1 22.1 1.0 C8 A:DG2 3.2 18.4 1.0 O A:HOH215 3.5 23.0 0.7 C5 A:DG2 3.8 15.6 1.0 H5' A:DC1 4.0 23.0 1.0 O6 A:DG2 4.2 20.3 1.0 C6 A:DG2 4.4 19.9 1.0 N9 A:DG2 4.5 16.7 1.0 HO5' A:DC1 4.6 25.9 1.0 C4 A:DG2 4.8 15.7 1.0 C5' A:DC1 4.9 19.1 1.0

Copper binding site 3 out of 11 in the Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu101 b:65.7 occ:1.00 C3 C:SPM104 2.4 11.5 0.6 N7 C:DG4 2.4 13.9 1.0 N5 C:SPM104 2.5 12.6 0.6 C4 C:SPM104 2.7 13.0 0.6 C8 C:DG4 3.3 14.3 1.0 C2 C:SPM104 3.3 11.6 0.6 C5 C:DG4 3.4 11.2 1.0 H8 C:DG4 3.4 17.1 1.0 C6 C:SPM104 3.5 16.4 0.6 O6 C:DG4 3.5 11.8 1.0 C6 C:DG4 3.8 11.6 1.0 N1 C:SPM104 4.0 11.8 0.6 H5' C:DC3 4.5 16.1 1.0 N9 C:DG4 4.5 12.7 1.0 C4 C:DG4 4.6 12.1 1.0 H41 C:DC5 4.7 16.8 0.7 H41 C:DC5 4.7 13.0 0.3 O C:HOH204 4.8 25.0 0.7

Copper binding site 4 out of 11 in the Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu102 b:86.2 occ:0.99 N7 C:DG6 2.4 14.6 1.0 O C:HOH201 3.2 29.3 0.7 C8 C:DG6 3.4 12.3 1.0 C5 C:DG6 3.4 14.2 1.0 H8 C:DG6 3.5 14.7 1.0 O6 C:DG6 3.5 15.8 1.0 C6 C:DG6 3.9 14.0 1.0 OP1 C:DC5 4.1 22.2 0.3 H5' C:DC5 4.4 16.5 0.7 H5' C:DC5 4.5 16.9 0.3 N9 C:DG6 4.6 13.4 1.0 C4 C:DG6 4.6 12.4 1.0

Copper binding site 5 out of 11 in the Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu103 b:44.8 occ:0.34 O2 C:PEO105 2.0 36.9 1.0 N7 C:DG2 2.4 18.6 1.0 O C:HOH221 2.8 52.9 1.0 H8 C:DG2 2.9 22.4 1.0 C8 C:DG2 3.0 18.7 1.0 O1 C:PEO105 3.3 36.8 1.0 O C:HOH218 3.5 28.2 1.0 C5 C:DG2 3.6 16.5 1.0 H5' C:DC1 3.8 23.1 1.0 O6 C:DG2 4.3 20.2 1.0 N9 C:DG2 4.3 16.6 1.0 C6 C:DG2 4.4 19.6 1.0 HO5' C:DC1 4.4 25.2 1.0 C4 C:DG2 4.6 15.8 1.0 C5' C:DC1 4.7 19.3 1.0 O5' C:DC1 5.0 21.0 1.0 O C:HOH214 5.0 40.2 0.9

Copper binding site 6 out of 11 in the Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour within 5.0Å range: probe atom residue distance (Å) B Occ E:Cu101 b:39.2 occ:0.53 O E:HOH211 1.8 33.4 1.0 N7 E:DG4 2.0 12.8 1.0 C3 E:SPM104 2.3 12.6 0.7 C8 E:DG4 2.8 14.1 1.0 H8 E:DG4 2.8 16.9 1.0 C4 E:SPM104 3.0 13.8 0.7 N5 E:SPM104 3.0 13.9 0.7 C5 E:DG4 3.2 9.9 1.0 C2 E:SPM104 3.4 12.8 0.7 O E:HOH215 3.4 17.9 0.8 O6 E:DG4 3.8 11.9 1.0 N1 E:SPM104 3.8 13.1 0.7 C6 E:DG4 3.8 11.6 1.0 C6 E:SPM104 4.0 17.8 0.7 N9 E:DG4 4.0 12.7 1.0 H5' E:DC3 4.1 16.4 1.0 C4 E:DG4 4.2 11.0 1.0 O E:HOH204 4.7 23.1 0.8 H41 E:DC5 4.7 16.7 0.7 H41 E:DC5 4.7 14.0 0.3

Copper binding site 7 out of 11 in the Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 7 of Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour within 5.0Å range: probe atom residue distance (Å) B Occ E:Cu102 b:47.4 occ:0.42 O E:HOH210 1.9 28.7 1.0 N7 E:DG2 2.2 18.9 1.0 H8 E:DG2 2.8 21.6 1.0 C8 E:DG2 2.9 18.0 1.0 C5 E:DG2 3.5 16.4 1.0 O E:HOH222 3.5 27.7 1.0 H5' E:DC1 3.8 21.6 1.0 O6 E:DG2 4.1 20.8 1.0 N9 E:DG2 4.2 17.1 1.0 C6 E:DG2 4.2 20.2 1.0 C4 E:DG2 4.5 17.2 1.0 HO5' E:DC1 4.5 25.4 1.0 C5' E:DC1 4.7 18.0 1.0

Copper binding site 8 out of 11 in the Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 8 of Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour within 5.0Å range: probe atom residue distance (Å) B Occ E:Cu103 b:80.3 occ:0.65 O E:HOH216 2.3 57.8 1.0 N7 E:DG6 2.4 15.6 1.0 O E:HOH201 3.3 28.6 0.7 C8 E:DG6 3.4 13.5 1.0 C5 E:DG6 3.5 14.4 1.0 O6 E:DG6 3.5 15.1 1.0 H8 E:DG6 3.5 16.2 1.0 C6 E:DG6 3.9 13.3 1.0 OP1 E:DC5 4.0 21.5 0.3 H5' E:DC5 4.5 15.1 0.7 H5' E:DC5 4.5 19.4 0.3 O E:HOH218 4.5 47.8 1.0 N9 E:DG6 4.6 13.7 1.0 C4 E:DG6 4.6 12.5 1.0 O G:HOH218 4.7 15.4 0.8 H41 G:DC1 4.8 18.1 1.0

Copper binding site 9 out of 11 in the Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 9 of Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour within 5.0Å range: probe atom residue distance (Å) B Occ G:Cu101 b:39.0 occ:0.49 O G:HOH210 1.7 32.1 1.0 N7 G:DG4 2.0 13.6 1.0 C3 G:SPM104 2.4 14.4 0.7 C8 G:DG4 2.7 13.8 1.0 H8 G:DG4 2.8 16.6 1.0 N5 G:SPM104 3.1 14.0 0.7 C4 G:SPM104 3.1 14.9 0.7 C5 G:DG4 3.1 9.7 1.0 C2 G:SPM104 3.4 15.2 0.7 O6 G:DG4 3.7 11.9 1.0 C6 G:DG4 3.8 12.0 1.0 N1 G:SPM104 3.8 14.8 0.7 N9 G:DG4 4.0 13.3 1.0 C6 G:SPM104 4.0 16.9 0.7 H5' G:DC3 4.1 16.7 1.0 C4 G:DG4 4.2 11.6 1.0 O G:HOH202 4.6 19.9 0.6 H41 G:DC5 4.7 12.6 0.3 H41 G:DC5 4.7 19.6 0.7 C5' G:DC3 5.0 13.9 1.0

Copper binding site 10 out of 11 in the Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 10 of Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For An Hour within 5.0Å range: probe atom residue distance (Å) B Occ G:Cu102 b:51.3 occ:0.48 O G:HOH212 2.0 31.8 0.9 N7 G:DG2 2.5 18.7 1.0 H8 G:DG2 3.0 22.4 1.0 C8 G:DG2 3.1 18.7 1.0 O G:HOH221 3.6 24.6 1.0 C5 G:DG2 3.7 15.0 1.0 H5' G:DC1 4.0 21.9 1.0 O6 G:DG2 4.3 20.0 1.0 C6 G:DG2 4.4 19.6 1.0 N9 G:DG2 4.4 16.4 1.0 HO5' G:DC1 4.6 24.7 1.0 C4 G:DG2 4.7 15.9 1.0 C5' G:DC1 4.8 18.3 1.0 O A:HOH207 4.9 24.6 0.7

M.C.Lambert, J.P.Hall. Structural Analysis of Peroxide-Soaked Dna Crystals Containing Ordered Copper Binding Sites: Towards Understanding Oxidative Damage at the Atomic Scale To Be Published.