Chlorine in PDB 4fs6: Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm CACL2

The structure of Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm CACL2, PDB code: 4fs6 was solved by T.Chatake, T.Sunami, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.82 / 1.30
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	18.461, 18.461, 71.463, 90.00, 90.00, 120.00
R / Rfree (%)	19 / 23

The structure of Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm CACL2 also contains other interesting chemical elements:

Calcium

(Ca)

5 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm CACL2 (pdb code 4fs6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm CACL2, PDB code: 4fs6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm CACL2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm CACL2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl106 b:40.9 occ:1.00 O A:HOH209 3.1 17.7 1.0 O A:HOH234 3.2 13.4 1.0 O A:HOH219 3.2 16.1 1.0 N2 A:DG2 3.3 10.4 1.0 C2' A:DC3 3.6 4.0 1.0 C5' A:DG2 3.8 9.1 1.0 C3' A:DC3 4.0 4.3 1.0 OP2 A:DG2 4.1 10.2 1.0 C2 A:DG2 4.3 10.6 1.0 O A:HOH231 4.4 22.7 1.0 OP1 A:DG4 4.4 5.2 1.0 O3' A:DC1 4.5 12.7 1.0 N3 A:DG2 4.5 10.8 1.0 O A:HOH221 4.6 7.8 1.0 O3' A:DC3 4.6 4.8 1.0 O5' A:DG2 4.8 9.3 1.0 P A:DG2 4.8 8.8 1.0 C3' A:DG2 4.8 7.2 1.0 C4' A:DG2 4.9 8.0 1.0 O5' A:DC3 4.9 7.4 1.0 CA A:CA102 4.9 11.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm CACL2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm CACL2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl107 b:12.5 occ:1.00 O A:HOH222 2.9 21.2 1.0 C2' A:DC5 3.3 14.2 1.0 N2 A:DG4 3.6 4.0 1.0 C5' A:DG4 3.8 6.9 1.0 C3' A:DC5 3.8 14.8 1.0 OP2 A:DG4 4.1 7.0 1.0 C3' A:DG4 4.4 7.4 1.0 N3 A:DG4 4.4 5.5 1.0 C2 A:DG4 4.4 4.4 1.0 O5' A:DC5 4.5 11.1 1.0 OP1 A:DG6 4.5 24.1 1.0 O A:HOH230 4.5 9.6 0.5 CA A:CA105 4.5 9.8 1.0 O3' A:DC5 4.5 18.6 1.0 O A:HOH223 4.6 52.4 1.0 C4' A:DG4 4.7 7.7 1.0 O3' A:DC3 4.7 4.8 1.0 O3' A:DG4 4.8 7.8 1.0 C1' A:DC5 4.8 13.0 1.0 O5' A:DG4 4.8 5.6 1.0 P A:DG4 4.9 5.6 1.0 O A:HOH235 4.9 13.7 1.0

T.Chatake, T.Sunami. Direct Interactions Between Z-Dna and Alkaline Earth Cations, Discovered in the Presence of High Concentrations of MGCL2 and CACL2 J.Inorg.Biochem. V. 124 15 2013.
ISSN: ISSN 0162-0134
PubMed: 23578858
DOI: 10.1016/J.JINORGBIO.2013.03.004