Gold in PDB 6enw: X-Ray Structure of AUOXO4-Encapsulated Horse Spleen Apoferritin

The structure of X-Ray Structure of AUOXO4-Encapsulated Horse Spleen Apoferritin, PDB code: 6enw 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)	104.43 / 2.60
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	180.878, 180.878, 180.878, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 23.6

The structure of X-Ray Structure of AUOXO4-Encapsulated Horse Spleen Apoferritin also contains other interesting chemical elements:

Cadmium	(Cd)	10 atoms
Chlorine	(Cl)	1 atom

The binding sites of Gold atom in the X-Ray Structure of AUOXO4-Encapsulated Horse Spleen Apoferritin (pdb code 6enw). 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 AUOXO4-Encapsulated Horse Spleen Apoferritin, PDB code: 6enw:
Jump to Gold binding site number: 1; 2;

Gold binding site 1 out of 2 in the X-Ray Structure of AUOXO4-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 AUOXO4-Encapsulated Horse Spleen Apoferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Au214 b:41.5 occ:0.50 SG A:CYS126 2.5 43.7 1.0 CB A:CYS126 3.2 36.5 1.0 O A:ASP122 3.6 17.9 1.0 OG A:SER118 3.8 28.6 1.0 CA A:SER118 3.8 23.3 1.0 N A:SER118 3.8 22.4 1.0 C A:GLY117 3.8 23.0 1.0 O A:GLY117 3.9 23.2 1.0 C A:ASP122 3.9 19.0 1.0 CA A:PRO123 3.9 19.7 1.0 N A:PRO123 4.1 19.1 1.0 CB A:SER118 4.4 24.8 1.0 N A:ASP122 4.4 20.5 1.0 CA A:CYS126 4.4 31.1 1.0 N A:CYS126 4.6 29.9 1.0 CA A:GLY117 4.7 22.3 1.0 AU A:AU215 4.7 47.1 0.3 CB A:PRO123 4.8 19.6 1.0 CA A:ASP122 4.8 19.4 1.0 C A:PRO123 4.9 20.2 1.0 CD A:PRO123 5.0 19.7 1.0 C A:SER118 5.0 24.4 1.0

Gold binding site 2 out of 2 in the X-Ray Structure of AUOXO4-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 AUOXO4-Encapsulated Horse Spleen Apoferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Au215 b:47.1 occ:0.35 ND1 A:HIS114 2.2 22.8 1.0 SG A:CYS126 2.4 43.7 1.0 CG A:HIS114 3.0 23.6 1.0 CB A:HIS114 3.2 23.7 1.0 CB A:CYS126 3.3 36.5 1.0 CE1 A:HIS114 3.3 21.7 1.0 OE2 A:GLU130 3.5 57.0 1.0 CA A:CYS126 3.7 31.1 1.0 CA A:HIS114 3.9 23.3 1.0 O A:HIS114 4.2 21.2 1.0 CD2 A:HIS114 4.2 22.5 1.0 NE2 A:HIS114 4.3 21.7 1.0 C A:HIS114 4.4 21.2 1.0 C A:CYS126 4.4 30.1 1.0 O A:CYS126 4.4 30.8 1.0 CD A:GLU130 4.5 42.7 1.0 CG A:GLU130 4.7 36.8 1.0 AU A:AU214 4.7 41.5 0.5 OG A:SER118 4.9 28.6 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