Chlorine in PDB 4fs5: Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm MGCL2

The structure of Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm MGCL2, PDB code: 4fs5 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)	9.68 / 1.30
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	18.593, 18.593, 72.700, 90.00, 90.00, 120.00
R / Rfree (%)	21.1 / 26.4

The structure of Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm MGCL2 also contains other interesting chemical elements:

Magnesium

(Mg)

10 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm MGCL2 (pdb code 4fs5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm MGCL2, PDB code: 4fs5:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm MGCL2


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 MGCL2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl110 b:22.6 occ:1.00 O A:HOH208 3.2 22.5 1.0 O A:HOH234 3.3 17.2 1.0 O A:HOH250 3.3 24.1 1.0 C2' A:DC3 3.4 9.1 1.0 C5' A:DG2 3.4 15.4 1.0 N2 A:DG2 3.6 10.4 1.0 C3' A:DC3 3.8 10.5 1.0 C3' A:DG2 4.0 14.4 1.0 O A:HOH244 4.2 18.9 1.0 OP2 A:DG2 4.2 17.5 1.0 N3 A:DG2 4.3 11.7 1.0 C4' A:DG2 4.3 14.8 1.0 O5' A:DC3 4.3 12.1 1.0 O A:HOH248 4.4 26.6 1.0 C2 A:DG2 4.4 11.3 1.0 O3' A:DG2 4.5 14.6 1.0 O5' A:DG2 4.6 15.6 1.0 O A:HOH225 4.6 24.4 1.0 O3' A:DC3 4.6 11.5 1.0 O3' A:DC1 4.7 15.8 1.0 OP1 A:DG4 4.8 14.4 1.0 P A:DG2 4.8 15.1 1.0 C1' A:DC3 4.9 8.6 1.0 MG A:MG102 4.9 18.1 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm MGCL2


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 MGCL2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl111 b:17.2 occ:1.00 O A:HOH231 3.1 18.4 1.0 O A:HOH236 3.3 21.6 1.0 C2' A:DC5 3.3 11.2 1.0 N2 A:DG4 3.5 10.0 1.0 C3' A:DC5 3.7 13.2 1.0 C5' A:DG4 3.8 13.3 1.0 C3' A:DG4 4.3 12.6 1.0 N3 A:DG4 4.3 8.7 1.0 C2 A:DG4 4.4 9.0 1.0 O5' A:DC5 4.5 12.7 1.0 O A:HOH230 4.5 18.7 1.0 O B:HOH220 4.5 26.3 1.0 OP2 A:DG4 4.5 13.6 1.0 O B:HOH204 4.5 13.3 1.0 O A:HOH235 4.6 19.6 1.0 O3' A:DC5 4.6 15.4 1.0 C4' A:DG4 4.6 13.1 1.0 OP1 A:DG6 4.6 22.0 1.0 C1' A:DC5 4.8 9.8 1.0 MG A:MG108 4.8 17.1 1.0 O3' A:DG4 4.8 14.7 1.0 O5' A:DG4 5.0 10.5 1.0 O3' A:DC3 5.0 11.5 1.0 C4' A:DC5 5.0 11.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm MGCL2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm MGCL2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:23.2 occ:1.00 O B:HOH206 3.3 20.2 1.0 C2' B:DC9 3.4 8.2 1.0 C5' B:DG8 3.4 16.1 1.0 N2 B:DG8 3.6 9.5 1.0 C3' B:DC9 3.9 9.8 1.0 C3' B:DG8 4.0 14.2 1.0 O B:HOH213 4.2 17.5 1.0 N3 B:DG8 4.2 12.0 1.0 OP2 B:DG8 4.2 19.2 1.0 C4' B:DG8 4.3 15.0 1.0 C2 B:DG8 4.4 11.2 1.0 O5' B:DC9 4.4 11.0 1.0 O3' B:DG8 4.4 14.5 1.0 O5' B:DG8 4.5 15.1 1.0 O3' B:DC9 4.7 12.0 1.0 O3' B:DC7 4.7 15.9 1.0 P B:DG8 4.8 15.8 1.0 OP1 B:DG10 4.9 12.9 1.0 C1' B:DC9 4.9 8.1 1.0 O B:HOH204 5.0 13.3 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm MGCL2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm MGCL2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl103 b:17.2 occ:1.00 O B:HOH220 2.8 26.3 1.0 O B:HOH201 3.2 25.5 1.0 C2' B:DC11 3.2 10.7 1.0 N2 B:DG10 3.5 8.9 1.0 C3' B:DC11 3.8 12.4 1.0 C5' B:DG10 3.8 11.9 1.0 N3 B:DG10 4.3 8.6 1.0 C3' B:DG10 4.3 12.5 1.0 C2 B:DG10 4.3 8.2 1.0 O A:HOH233 4.4 12.5 1.0 O5' B:DC11 4.5 13.0 1.0 OP2 B:DG10 4.6 13.1 1.0 C4' B:DG10 4.6 12.9 1.0 O3' B:DC11 4.6 14.0 1.0 OP1 B:DG12 4.7 21.1 1.0 O B:HOH207 4.7 20.5 1.0 C1' B:DC11 4.7 9.9 1.0 O3' B:DG10 4.9 13.5 1.0 O5' B:DG10 5.0 10.4 1.0 O3' B:DC9 5.0 12.0 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