Copper in PDB 8oeb: Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For 30 Minutes, Second Collection at Room Temperature

The structure of Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For 30 Minutes, Second Collection at Room Temperature, PDB code: 8oeb 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)	17.67 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	18.312, 30.78, 43.159, 90, 90, 90
R / Rfree (%)	17.4 / 18.2

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 30 Minutes, Second Collection at Room Temperature (pdb code 8oeb). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 3 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 30 Minutes, Second Collection at Room Temperature, PDB code: 8oeb:
Jump to Copper binding site number: 1; 2; 3;

Copper binding site 1 out of 3 in the Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For 30 Minutes, Second Collection at Room Temperature


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 30 Minutes, Second Collection at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu102 b:45.8 occ:0.52 O A:HOH203 1.6 18.1 0.5 H31 A:SPM101 1.7 21.0 1.0 N7 A:DG4 2.3 12.4 1.0 C3 A:SPM101 2.5 17.5 1.0 N5 A:SPM101 2.7 16.0 1.0 C4 A:SPM101 2.8 20.3 1.0 H42 A:SPM101 2.9 24.3 1.0 H32 A:SPM101 3.2 21.0 1.0 H21 A:SPM101 3.2 24.2 1.0 C8 A:DG4 3.2 13.4 1.0 H8 A:DG4 3.3 16.1 1.0 C2 A:SPM101 3.4 20.2 1.0 C5 A:DG4 3.4 9.7 1.0 H72 A:SPM101 3.6 30.0 1.0 O6 A:DG4 3.7 12.8 1.0 HN11 A:SPM101 3.8 16.0 1.0 C6 A:SPM101 3.8 21.2 1.0 H41 A:SPM101 3.8 24.3 1.0 H62 A:SPM101 3.8 25.4 1.0 C6 A:DG4 3.9 11.1 1.0 O B:HOH105 4.0 31.1 0.5 N1 A:SPM101 4.1 13.3 1.0 H22 A:SPM101 4.2 24.2 1.0 C7 A:SPM101 4.2 25.0 1.0 N9 A:DG4 4.4 9.1 1.0 C4 A:DG4 4.5 10.3 1.0 H61 A:SPM101 4.6 25.4 1.0 H5' A:DC3 4.6 13.7 1.0 H41 A:DC5 4.6 18.8 1.0 O A:HOH208 4.6 13.2 0.5 H71 A:SPM101 4.7 30.0 1.0 HN12 A:SPM101 4.8 16.0 1.0

Copper binding site 2 out of 3 in the Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For 30 Minutes, Second Collection at Room Temperature


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 30 Minutes, Second Collection at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu103 b:59.5 occ:0.39 N7 A:DG6 2.4 15.7 1.0 C5 A:DG6 3.4 14.7 1.0 C8 A:DG6 3.4 13.0 1.0 O6 A:DG6 3.4 15.6 1.0 H8 A:DG6 3.6 15.6 1.0 C6 A:DG6 3.8 22.8 1.0 H5' A:DC5 4.6 14.3 1.0 N9 A:DG6 4.6 12.9 1.0 C4 A:DG6 4.6 9.5 1.0

Copper binding site 3 out of 3 in the Crystal Structure of the Z-Dna Duplex D(Cgcgcg) Containing Ordered Copper(II) and Soaked in Hydrogen Peroxide For 30 Minutes, Second Collection at Room Temperature


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 30 Minutes, Second Collection at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu104 b:80.3 occ:0.71 N7 A:DG2 2.3 17.9 1.0 H8 A:DG2 3.0 27.6 1.0 C8 A:DG2 3.0 23.0 1.0 C5 A:DG2 3.6 12.3 1.0 O6 A:DG2 4.1 17.6 1.0 HO5' A:DC1 4.1 74.2 1.0 C6 A:DG2 4.2 26.8 1.0 O5' A:DC1 4.2 61.8 1.0 N9 A:DG2 4.3 13.9 1.0 C4 A:DG2 4.6 11.2 1.0 H41 A:DC3 4.8 19.2 1.0

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.