Bromine 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:

Copper

(Cu)

1 atom

The binding sites of Bromine 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 Bromine atom.
In total 2 binding sites of Bromine where determined in the Copper(II) Bound to the Z-Dna Form of D(Cgcgcg), PDB code: 4xsn:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Copper(II) Bound to the Z-Dna Form of D(Cgcgcg)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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 A:Br2 b:23.1 occ:1.00 BR A:BGM2 0.0 23.1 1.0 C8 A:BGM2 1.9 17.0 1.0 N7 A:BGM2 2.8 17.0 1.0 N9 A:BGM2 2.8 15.3 1.0 C1' A:BGM2 3.3 15.8 1.0 O A:HOH119 3.6 18.8 1.0 O B:HOH238 3.9 27.5 1.0 C5 A:BGM2 3.9 13.3 1.0 C4 A:BGM2 4.0 15.7 1.0 O4' A:BGM2 4.1 15.4 1.0 O A:HOH123 4.2 17.2 1.0 C2' A:BGM2 4.5 16.5 1.0

Bromine binding site 2 out of 2 in the Copper(II) Bound to the Z-Dna Form of D(Cgcgcg)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Copper(II) Bound to the Z-Dna Form of D(Cgcgcg) within 5.0Å range: probe atom residue distance (Å) B Occ B:Br2 b:17.5 occ:1.00 BR B:BGM2 0.0 17.5 1.0 C8 B:BGM2 1.9 14.6 1.0 N7 B:BGM2 2.8 16.5 1.0 N9 B:BGM2 2.9 13.5 1.0 C1' B:BGM2 3.3 14.7 1.0 O B:HOH217 3.7 47.4 1.0 C5 B:BGM2 3.9 13.2 1.0 C4 B:BGM2 4.0 13.4 1.0 O4' B:BGM2 4.2 14.0 1.0 C2' B:BGM2 4.5 14.8 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