Calcium 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:

Chlorine

(Cl)

2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 5 binding sites of Calcium where determined in the Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm CACL2, PDB code: 4fs6:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm CACL2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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:Ca101 b:9.7 occ:1.00 O A:HOH203 2.2 9.2 1.0 O A:HOH201 2.4 21.2 1.0 O A:HOH204 2.5 8.2 1.0 OP1 A:DG2 2.5 9.3 1.0 O A:HOH202 2.8 46.6 1.0 O5' A:DG2 3.4 9.3 1.0 P A:DG2 3.5 8.8 1.0 O A:HOH205 4.1 19.8 1.0 OP2 A:DG2 4.5 10.2 1.0 O A:HOH233 4.5 10.4 1.0 O3' A:DC1 4.6 12.7 1.0 C3' A:DC1 4.6 13.3 1.0 C5' A:DG2 4.8 9.1 1.0 O A:HOH232 4.8 10.2 1.0 O4' A:DG2 4.9 6.2 1.0 O5' A:DC1 4.9 20.9 1.0

Calcium binding site 2 out of 5 in the Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm CACL2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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:Ca102 b:11.8 occ:1.00 O A:HOH208 2.1 38.5 1.0 O A:HOH206 2.1 58.3 1.0 O A:HOH209 2.2 17.7 1.0 OP2 A:DG2 2.4 10.2 1.0 O A:HOH205 2.6 19.8 1.0 O A:HOH207 2.6 80.4 1.0 P A:DG2 3.7 8.8 1.0 O A:HOH231 3.9 22.7 1.0 O5' A:DG2 4.1 9.3 1.0 OP1 A:DG2 4.3 9.3 1.0 C5' A:DG2 4.4 9.1 1.0 O3' A:DC1 4.9 12.7 1.0 CL A:CL106 4.9 40.9 1.0

Calcium binding site 3 out of 5 in the Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm CACL2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 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:Ca103 b:6.1 occ:1.00 O A:HOH213 2.2 3.9 1.0 O A:HOH212 2.3 5.4 1.0 O A:HOH211 2.3 6.5 1.0 OP1 A:DC3 2.3 8.8 1.0 O A:HOH210 2.5 11.1 1.0 P A:DC3 3.8 6.6 1.0 C2' A:DG2 4.1 6.2 1.0 O A:HOH218 4.3 8.5 1.0 N7 A:DG4 4.4 6.1 1.0 O3' A:DG2 4.5 6.2 1.0 OP2 A:DC3 4.5 8.2 1.0 O A:HOH224 4.6 1.3 1.0 O5' A:DC3 4.7 7.4 1.0 O6 A:DG4 4.8 4.9 1.0 C3' A:DG2 4.9 7.2 1.0 O A:HOH238 5.0 49.5 1.0

Calcium binding site 4 out of 5 in the Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm CACL2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 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:Ca104 b:10.6 occ:1.00 O A:HOH218 2.2 8.5 1.0 OP2 A:DC3 2.3 8.2 1.0 O A:HOH214 2.4 8.6 1.0 O A:HOH217 2.5 42.0 1.0 O A:HOH215 2.7 9.7 1.0 O A:HOH216 2.7 15.9 1.0 P A:DC3 3.6 6.6 1.0 OP1 A:DC3 4.1 8.8 1.0 O A:HOH228 4.3 18.6 1.0 O5' A:DC3 4.4 7.4 1.0 C5' A:DC3 4.5 4.7 1.0 O3' A:DG2 4.7 6.2 1.0 O A:HOH225 4.8 1.3 1.0

Calcium binding site 5 out of 5 in the Crystal Structure of the Z-Dna Hexamer Cgcgcg at 500 Mm CACL2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 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:Ca105 b:9.8 occ:1.00 O A:HOH222 2.3 21.2 1.0 O A:HOH221 2.4 7.8 1.0 O A:HOH220 2.4 7.6 1.0 O A:HOH219 2.5 16.1 1.0 OP2 A:DG4 2.5 7.0 1.0 O3' A:DC3 3.1 4.8 1.0 P A:DG4 3.3 5.6 1.0 OP1 A:DG4 4.0 5.2 1.0 C3' A:DC3 4.3 4.3 1.0 C2' A:DC3 4.4 4.0 1.0 CL A:CL107 4.5 12.5 1.0 O5' A:DG4 4.7 5.6 1.0 O2 A:DC3 4.8 3.6 1.0 C1' A:DC3 4.9 4.3 1.0 C5' A:DG4 5.0 6.9 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