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Bromine in PDB 4xsn: Copper(II) Bound to the Z-Dna Form of D(Cgcgcg)

Protein crystallography data

The structure of Copper(II) Bound to the Z-Dna Form of D(Cgcgcg), PDB code: 4xsn 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) 17.36 / 1.45
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 18.799, 29.077, 43.278, 90.00, 90.00, 90.00
R / Rfree (%) 12 / 15.7

Other elements in 4xsn:

The structure of Copper(II) Bound to the Z-Dna Form of D(Cgcgcg) also contains other interesting chemical elements:

Copper (Cu) 1 atom

Bromine Binding Sites:

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

Bromine binding site 1 out of 2 in 4xsn

Go back to Bromine Binding Sites List in 4xsn
Bromine binding site 1 out of 2 in the Copper(II) Bound to the Z-Dna Form of D(Cgcgcg)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Copper(II) Bound to the Z-Dna Form of D(Cgcgcg) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br2

b:23.1
occ:1.00
BR A:BGM2 0.0 23.1 1.0
C8 A:BGM2 1.9 17.0 1.0
N7 A:BGM2 2.8 17.0 1.0
N9 A:BGM2 2.8 15.3 1.0
C1' A:BGM2 3.3 15.8 1.0
O A:HOH119 3.6 18.8 1.0
O B:HOH238 3.9 27.5 1.0
C5 A:BGM2 3.9 13.3 1.0
C4 A:BGM2 4.0 15.7 1.0
O4' A:BGM2 4.1 15.4 1.0
O A:HOH123 4.2 17.2 1.0
C2' A:BGM2 4.5 16.5 1.0

Bromine binding site 2 out of 2 in 4xsn

Go back to Bromine Binding Sites List in 4xsn
Bromine binding site 2 out of 2 in the Copper(II) Bound to the Z-Dna Form of D(Cgcgcg)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Copper(II) Bound to the Z-Dna Form of D(Cgcgcg) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br2

b:17.5
occ:1.00
BR B:BGM2 0.0 17.5 1.0
C8 B:BGM2 1.9 14.6 1.0
N7 B:BGM2 2.8 16.5 1.0
N9 B:BGM2 2.9 13.5 1.0
C1' B:BGM2 3.3 14.7 1.0
O B:HOH217 3.7 47.4 1.0
C5 B:BGM2 3.9 13.2 1.0
C4 B:BGM2 4.0 13.4 1.0
O4' B:BGM2 4.2 14.0 1.0
C2' B:BGM2 4.5 14.8 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 02:23:54 2020

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