Atomistry » Chlorine » PDB 4xpa-4y0b » 4xqz
Atomistry »
  Chlorine »
    PDB 4xpa-4y0b »
      4xqz »

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

Protein crystallography data

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

Other elements in 4xqz:

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:

Calcium (Ca) 2 atoms
Copper (Cu) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 7 binding sites of Chlorine 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 Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 4xqz

Go back to Chlorine Binding Sites List in 4xqz
Chlorine binding site 1 out of 7 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 Chlorine with other atoms in the Cl 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:Cl103

b:23.7
occ:0.40
N4 A:DC3 2.3 30.6 1.0
CU A:CU101 2.5 34.4 1.0
CL D:CL104 2.7 25.1 0.6
N7 A:DG2 2.9 32.5 1.0
N7 D:DG2 3.0 28.3 1.0
C8 D:DG2 3.1 25.6 1.0
C4 A:DC3 3.4 29.0 1.0
O6 A:DG2 3.4 27.7 1.0
C5 A:DG2 3.4 30.1 1.0
C6 A:DG2 3.7 28.0 1.0
O3S D:MES102 3.8 27.3 1.0
C8 A:DG2 3.8 26.3 1.0
C5 A:DC3 3.8 32.4 1.0
O6 B:DG4 4.2 25.7 1.0
C5 D:DG2 4.2 25.5 1.0
N9 D:DG2 4.3 23.4 1.0
C4 A:DG2 4.5 26.6 1.0
N3 A:DC3 4.5 28.3 1.0
O B:HOH105 4.6 21.9 1.0
N9 A:DG2 4.7 30.2 1.0
O1S D:MES102 4.7 28.0 1.0
N4 B:DC3 4.8 21.3 1.0
S D:MES102 4.8 47.4 1.0
N4 D:DC3 4.8 22.2 1.0
N1 A:DG2 4.8 29.1 1.0
C5 B:DC3 4.8 25.3 1.0
C4 D:DG2 4.9 23.1 1.0

Chlorine binding site 2 out of 7 in 4xqz

Go back to Chlorine Binding Sites List in 4xqz
Chlorine binding site 2 out of 7 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 Chlorine with other atoms in the Cl 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
C:Cl102

b:29.0
occ:1.00
O5' C:DC1 2.3 31.1 1.0
O B:HOH108 2.6 23.4 1.0
O5' B:DC1 2.9 24.1 1.0
CU C:CU101 3.3 27.9 1.0
C5' C:DC1 3.5 25.7 1.0
C6 B:DC1 3.6 31.1 1.0
C5' B:DC1 3.7 24.3 1.0
O6 B:DG2 3.9 25.8 1.0
N7 B:DG2 3.9 21.1 1.0
O4' B:DC1 4.0 27.4 1.0
N7 C:DG2 4.0 20.0 1.0
C6 B:DG2 4.2 27.3 1.0
C5 B:DC1 4.2 29.8 1.0
C5 B:DG2 4.3 21.9 1.0
C4' B:DC1 4.5 27.3 1.0
O6 C:DG2 4.6 22.6 1.0
N1 B:DC1 4.6 32.2 1.0
C5 C:DG2 4.7 21.7 1.0
C4' C:DC1 4.7 23.4 1.0
C1' B:DC1 4.8 29.5 1.0
C8 C:DG2 4.8 24.2 1.0
C6 C:DC1 4.8 22.6 1.0
C8 B:DG2 4.8 18.7 1.0
O4' C:DC1 4.8 19.2 1.0
C2' B:DC1 4.9 28.2 1.0
C6 C:DG2 4.9 20.6 1.0

Chlorine binding site 3 out of 7 in 4xqz

Go back to Chlorine Binding Sites List in 4xqz
Chlorine binding site 3 out of 7 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 Chlorine with other atoms in the Cl binding site number 3 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
D:Cl104

b:25.1
occ:0.60
N4 D:DC3 2.6 22.2 1.0
CL A:CL103 2.7 23.7 0.4
O3S D:MES102 2.9 27.3 1.0
N7 D:DG2 3.0 28.3 1.0
CU A:CU101 3.1 34.4 1.0
O6 D:DG2 3.4 29.0 1.0
C5 D:DG2 3.5 25.5 1.0
C6 D:DG2 3.6 27.0 1.0
C4 D:DC3 3.8 23.7 1.0
C8 D:DG2 3.9 25.6 1.0
N7 A:DG2 4.1 32.5 1.0
C5 D:DC3 4.3 23.8 1.0
S D:MES102 4.3 47.4 1.0
C4 D:DG2 4.6 23.1 1.0
O6 C:DG4 4.6 20.6 1.0
C8 A:DG2 4.7 26.3 1.0
O C:HOH205 4.8 26.1 1.0
N9 D:DG2 4.8 23.4 1.0
O2S D:MES102 4.8 42.7 1.0
N1 D:DG2 4.8 28.5 1.0
O B:HOH105 4.9 21.9 1.0
N3 D:DC3 4.9 23.7 1.0
N4 A:DC3 5.0 30.6 1.0

Chlorine binding site 4 out of 7 in 4xqz

Go back to Chlorine Binding Sites List in 4xqz
Chlorine binding site 4 out of 7 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 Chlorine with other atoms in the Cl binding site number 4 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
F:Cl101

b:40.5
occ:1.00
CU G:CU101 2.7 32.3 1.0
N7 F:DG2 3.1 31.8 1.0
N4 F:DC3 3.3 35.2 1.0
N7 G:DG2 3.6 26.1 1.0
N4 G:DC3 3.8 20.9 1.0
C8 F:DG2 3.8 29.9 1.0
C5 F:DG2 3.8 32.5 1.0
O F:HOH206 4.1 31.3 1.0
C8 G:DG2 4.1 26.3 1.0
O6 F:DG2 4.1 34.6 1.0
C6 F:DG2 4.2 35.9 1.0
C4 F:DC3 4.3 34.1 1.0
C5 F:DC3 4.3 35.7 1.0
CL H:CL104 4.5 32.5 1.0
C5 G:DG2 4.5 24.0 1.0
N9 F:DG2 4.7 29.0 1.0
C4 F:DG2 4.7 29.9 1.0
C4 G:DC3 4.8 22.8 1.0
O6 G:DG2 4.9 20.6 1.0
C5 G:DC3 4.9 22.8 1.0

Chlorine binding site 5 out of 7 in 4xqz

Go back to Chlorine Binding Sites List in 4xqz
Chlorine binding site 5 out of 7 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 Chlorine with other atoms in the Cl binding site number 5 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
H:Cl102

b:35.6
occ:0.60
CU H:CU101 2.5 37.5 1.0
CL H:CL103 2.8 31.7 0.4
N7 H:DG6 3.4 31.3 1.0
C8 H:DG6 3.7 28.1 1.0
C5 H:DG6 4.5 29.4 1.0
N9 H:DG6 4.8 27.6 1.0

Chlorine binding site 6 out of 7 in 4xqz

Go back to Chlorine Binding Sites List in 4xqz
Chlorine binding site 6 out of 7 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 Chlorine with other atoms in the Cl binding site number 6 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
H:Cl103

b:31.7
occ:0.40
CL H:CL102 2.8 35.6 0.6
CU H:CU101 3.0 37.5 1.0
N7 H:DG6 3.1 31.3 1.0
C5 H:DG6 3.3 29.4 1.0
O6 H:DG6 3.3 24.7 1.0
C6 H:DG6 3.4 24.8 1.0
C8 H:DG6 3.9 28.1 1.0
C4 H:DG6 4.1 29.1 1.0
N1 H:DG6 4.3 25.7 1.0
N9 H:DG6 4.5 27.6 1.0

Chlorine binding site 7 out of 7 in 4xqz

Go back to Chlorine Binding Sites List in 4xqz
Chlorine binding site 7 out of 7 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 Chlorine with other atoms in the Cl binding site number 7 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
H:Cl104

b:32.5
occ:1.00
CU E:CU101 2.6 35.4 1.0
N7 H:DG2 2.9 26.4 1.0
N4 H:DC3 3.2 28.2 1.0
C8 H:DG2 3.6 23.5 1.0
C5 H:DG2 3.6 25.9 1.0
N7 E:DG2 3.8 31.4 1.0
O6 H:DG2 3.9 24.9 1.0
C6 H:DG2 4.1 26.3 1.0
N4 E:DC3 4.2 30.0 1.0
C8 E:DG2 4.3 23.5 1.0
C4 H:DC3 4.3 26.2 1.0
O G:HOH204 4.4 29.6 1.0
CL F:CL101 4.5 40.5 1.0
N9 H:DG2 4.6 25.8 1.0
C5 H:DC3 4.6 26.5 1.0
C4 H:DG2 4.6 23.6 1.0
C5 E:DG2 4.7 31.6 1.0
O H:HOH208 4.8 28.3 1.0

Reference:

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
Page generated: Sat Dec 12 11:21:08 2020

Last articles

Cl in 3SVK
Cl in 3STG
Cl in 3SVJ
Cl in 3SVC
Cl in 3SVI
Cl in 3SUJ
Cl in 3STE
Cl in 3STR
Cl in 3STF
Cl in 3STC
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy