Copper in PDB 4xsn: Copper(II) Bound to the Z-Dna Form of D(Cgcgcg)

The structure of Copper(II) Bound to the Z-Dna Form of D(Cgcgcg), PDB code: 4xsn was solved by M.Rohner, A.Medina-Molner, B.Spingler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.36 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	18.799, 29.077, 43.278, 90.00, 90.00, 90.00
R / Rfree (%)	12 / 15.7

The structure of Copper(II) Bound to the Z-Dna Form of D(Cgcgcg) also contains other interesting chemical elements:

Bromine

(Br)

2 atoms

The binding sites of Copper atom in the Copper(II) Bound to the Z-Dna Form of D(Cgcgcg) (pdb code 4xsn). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total only one binding site of Copper was determined in the Copper(II) Bound to the Z-Dna Form of D(Cgcgcg), PDB code: 4xsn:

Copper binding site 1 out of 1 in the Copper(II) Bound to the Z-Dna Form of D(Cgcgcg)


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 the Z-Dna Form of D(Cgcgcg) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu101 b:13.9 occ:1.00 N7 B:DG6 2.0 14.8 1.0 O B:HOH213 2.1 14.2 1.0 O B:HOH208 2.4 13.6 1.0 C8 B:DG6 2.9 12.8 1.0 C5 B:DG6 3.1 15.0 1.0 O6 B:DG6 3.6 15.2 1.0 C6 B:DG6 3.7 11.9 1.0 N9 B:DG6 4.1 15.8 1.0 C4 B:DG6 4.3 12.9 1.0 OP1 B:DC5 4.4 13.1 1.0 C5' B:DC5 4.7 13.6 1.0

M.Rohner, A.Medina-Molner, B.Spingler. N,N,O and N,O,N Meridional Cis Coordination of Two Guanines to Copper(II) By D(Cgcgcg)2. Inorg.Chem. V. 55 6130 2016.
ISSN: ISSN 0020-1669
PubMed: 27266259
DOI: 10.1021/ACS.INORGCHEM.6B00672