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Gold in PDB 6env: X-Ray Structure of AU2PHEN-Encapsulated Horse Spleen Apoferritin

Protein crystallography data

The structure of X-Ray Structure of AU2PHEN-Encapsulated Horse Spleen Apoferritin, PDB code: 6env was solved by G.Ferraro, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 104.48 / 1.82
Space group F 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 180.967, 180.967, 180.967, 90.00, 90.00, 90.00
R / Rfree (%) 14.5 / 17.5

Other elements in 6env:

The structure of X-Ray Structure of AU2PHEN-Encapsulated Horse Spleen Apoferritin also contains other interesting chemical elements:

Cadmium (Cd) 12 atoms
Chlorine (Cl) 1 atom

Gold Binding Sites:

The binding sites of Gold atom in the X-Ray Structure of AU2PHEN-Encapsulated Horse Spleen Apoferritin (pdb code 6env). This binding sites where shown within 5.0 Angstroms radius around Gold atom.
In total 2 binding sites of Gold where determined in the X-Ray Structure of AU2PHEN-Encapsulated Horse Spleen Apoferritin, PDB code: 6env:
Jump to Gold binding site number: 1; 2;

Gold binding site 1 out of 2 in 6env

Go back to Gold Binding Sites List in 6env
Gold binding site 1 out of 2 in the X-Ray Structure of AU2PHEN-Encapsulated Horse Spleen Apoferritin


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 1 of X-Ray Structure of AU2PHEN-Encapsulated Horse Spleen Apoferritin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Au213

b:16.7
occ:0.50
SG A:CYS126 2.3 19.1 1.0
O A:HOH526 2.5 8.4 0.5
AU A:AU214 2.5 51.5 0.3
CB A:CYS126 3.2 15.0 1.0
O A:ASP122 3.5 14.3 1.0
CA A:PRO123 3.7 16.0 1.0
CA A:SER118 3.7 18.4 1.0
C A:ASP122 3.7 14.7 1.0
O A:GLY117 3.7 16.3 1.0
N A:PRO123 3.8 14.8 1.0
N A:SER118 3.9 17.8 1.0
C A:GLY117 3.9 16.9 1.0
N A:ASP122 4.1 12.3 1.0
CB A:SER118 4.3 21.4 1.0
O A:HOH515 4.4 44.2 1.0
CA A:CYS126 4.5 14.7 1.0
CB A:PRO123 4.5 16.8 1.0
CA A:ASP122 4.5 12.8 1.0
N A:CYS126 4.7 13.0 1.0
CD A:PRO123 4.7 15.4 1.0
C A:PRO123 4.7 14.0 1.0
OG A:SER118 4.8 25.0 1.0
C A:SER118 4.8 17.5 1.0
C A:ALA121 4.8 14.3 1.0
O A:SER118 4.9 18.3 1.0
CA A:GLY117 4.9 16.1 1.0
CA A:ALA121 5.0 18.2 1.0
O A:PRO123 5.0 14.8 1.0

Gold binding site 2 out of 2 in 6env

Go back to Gold Binding Sites List in 6env
Gold binding site 2 out of 2 in the X-Ray Structure of AU2PHEN-Encapsulated Horse Spleen Apoferritin


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 2 of X-Ray Structure of AU2PHEN-Encapsulated Horse Spleen Apoferritin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Au214

b:51.5
occ:0.30
SG A:CYS126 2.4 19.1 1.0
AU A:AU213 2.5 16.7 0.5
O A:HOH537 2.8 18.4 0.3
CE1 A:HIS114 3.2 17.4 1.0
CB A:CYS126 3.3 15.0 1.0
CB A:SER118 3.4 21.4 1.0
O A:HOH515 3.5 44.2 1.0
CA A:SER118 3.7 18.4 1.0
NE2 A:HIS114 3.8 15.8 1.0
ND1 A:HIS114 3.9 19.0 1.0
OG A:SER118 3.9 25.0 1.0
N A:SER118 4.0 17.8 1.0
O A:HIS114 4.3 13.5 1.0
O A:HOH526 4.5 8.4 0.5
CD2 A:HIS114 4.6 18.1 1.0
OE2 A:GLU130 4.6 22.0 1.0
CA A:CYS126 4.6 14.7 1.0
CG A:HIS114 4.7 16.4 1.0
C A:GLY117 4.8 16.9 1.0

Reference:

D.M.Monti, G.Ferraro, G.Petruk, L.Maiore, F.Pane, A.Amoresano, M.A.Cinellu, A.Merlino. Ferritin Nanocages Loaded with Gold Ions Induce Oxidative Stress and Apoptosis in Mcf-7 Human Breast Cancer Cells. Dalton Trans V. 46 15354 2017.
ISSN: ESSN 1477-9234
PubMed: 29072740
DOI: 10.1039/C7DT02370G
Page generated: Sat Dec 12 01:54:29 2020

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