Calcium in PDB 4xqz: Calcium(II) and Copper(II) Bound to the Z-Dna Form of D(Cgcgcg), Complexed By Chloride and Mes

The structure of Calcium(II) and Copper(II) Bound to the Z-Dna Form of D(Cgcgcg), Complexed By Chloride and Mes, PDB code: 4xqz 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)	24.87 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	32.340, 35.253, 47.643, 90.00, 98.28, 90.00
R / Rfree (%)	23.1 / 30

The structure of Calcium(II) and Copper(II) Bound to the Z-Dna Form of D(Cgcgcg), Complexed By Chloride and Mes also contains other interesting chemical elements:

Chlorine	(Cl)	7 atoms
Copper	(Cu)	6 atoms

The binding sites of Calcium atom in the Calcium(II) and Copper(II) Bound to the Z-Dna Form of D(Cgcgcg), Complexed By Chloride and Mes (pdb code 4xqz). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Calcium(II) and Copper(II) Bound to the Z-Dna Form of D(Cgcgcg), Complexed By Chloride and Mes, PDB code: 4xqz:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Calcium(II) and Copper(II) Bound to the Z-Dna Form of D(Cgcgcg), Complexed By Chloride and Mes


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Calcium(II) and Copper(II) Bound to the Z-Dna Form of D(Cgcgcg), Complexed By Chloride and Mes within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca102 b:44.4 occ:1.00 O A:HOH202 2.3 35.0 1.0 OP1 H:DG4 2.6 34.6 1.0 OP1 A:DG2 2.6 27.3 1.0 O A:HOH201 3.0 30.2 1.0 O5' H:DG4 3.6 33.0 1.0 P H:DG4 3.7 38.0 1.0 P A:DG2 3.8 40.3 1.0 OP2 A:DG2 4.1 44.2 1.0 C3' H:DC3 4.6 27.5 1.0 O3' A:DC1 4.6 31.4 1.0 C3' A:DC1 4.6 30.0 1.0 O3' H:DC3 4.7 29.2 1.0 OP2 H:DG4 4.8 27.8 1.0 C5' H:DG4 4.9 24.3 1.0 O5' A:DG2 4.9 30.0 1.0 OP2 H:DC3 5.0 31.7 1.0

Calcium binding site 2 out of 2 in the Calcium(II) and Copper(II) Bound to the Z-Dna Form of D(Cgcgcg), Complexed By Chloride and Mes


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Calcium(II) and Copper(II) Bound to the Z-Dna Form of D(Cgcgcg), Complexed By Chloride and Mes within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca102 b:38.3 occ:1.00 O E:HOH202 2.4 29.2 1.0 OP1 E:DG2 2.8 29.2 1.0 P E:DG2 4.2 30.7 1.0 C3' E:DC1 4.5 31.0 1.0 OP2 E:DG2 4.8 29.1 1.0 O3' E:DC1 4.9 31.0 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