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

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

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

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 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 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

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