Chlorine in PDB 6fx8: The X-Ray Structure of the Ferritin Nanocage Containing Au and Pt, Obtained Upon Encapsulation of A Single Heterobimetallic Compound Within the Protein Cage (Rotating Anode Data)

The structure of The X-Ray Structure of the Ferritin Nanocage Containing Au and Pt, Obtained Upon Encapsulation of A Single Heterobimetallic Compound Within the Protein Cage (Rotating Anode Data), PDB code: 6fx8 was solved by A.Merlino, G.Ferraro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	104.40 / 1.80
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	180.832, 180.832, 180.832, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 19.7

The structure of The X-Ray Structure of the Ferritin Nanocage Containing Au and Pt, Obtained Upon Encapsulation of A Single Heterobimetallic Compound Within the Protein Cage (Rotating Anode Data) also contains other interesting chemical elements:

Cadmium	(Cd)	14 atoms
Gold	(Au)	1 atom

The binding sites of Chlorine atom in the The X-Ray Structure of the Ferritin Nanocage Containing Au and Pt, Obtained Upon Encapsulation of A Single Heterobimetallic Compound Within the Protein Cage (Rotating Anode Data) (pdb code 6fx8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The X-Ray Structure of the Ferritin Nanocage Containing Au and Pt, Obtained Upon Encapsulation of A Single Heterobimetallic Compound Within the Protein Cage (Rotating Anode Data), PDB code: 6fx8:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the The X-Ray Structure of the Ferritin Nanocage Containing Au and Pt, Obtained Upon Encapsulation of A Single Heterobimetallic Compound Within the Protein Cage (Rotating Anode Data)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The X-Ray Structure of the Ferritin Nanocage Containing Au and Pt, Obtained Upon Encapsulation of A Single Heterobimetallic Compound Within the Protein Cage (Rotating Anode Data) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl211 b:9.5 occ:0.40 CD A:CD207 1.6 28.5 0.2 OE1 A:GLU130 3.8 33.6 1.0 OE2 A:GLU130 4.5 26.4 1.0 CD A:GLU130 4.5 29.5 1.0

Chlorine binding site 2 out of 3 in the The X-Ray Structure of the Ferritin Nanocage Containing Au and Pt, Obtained Upon Encapsulation of A Single Heterobimetallic Compound Within the Protein Cage (Rotating Anode Data)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The X-Ray Structure of the Ferritin Nanocage Containing Au and Pt, Obtained Upon Encapsulation of A Single Heterobimetallic Compound Within the Protein Cage (Rotating Anode Data) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl212 b:20.5 occ:1.00 CD A:CD204 2.5 12.5 0.5 OD1 A:ASP80 3.6 10.8 1.0 OD2 A:ASP80 4.6 13.9 1.0 CG A:ASP80 4.6 11.5 1.0

Chlorine binding site 3 out of 3 in the The X-Ray Structure of the Ferritin Nanocage Containing Au and Pt, Obtained Upon Encapsulation of A Single Heterobimetallic Compound Within the Protein Cage (Rotating Anode Data)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The X-Ray Structure of the Ferritin Nanocage Containing Au and Pt, Obtained Upon Encapsulation of A Single Heterobimetallic Compound Within the Protein Cage (Rotating Anode Data) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl213 b:19.8 occ:0.40 CD A:CD201 2.8 39.8 0.4 N A:THR10 2.9 12.5 1.0 OG1 A:THR10 3.3 19.1 1.0 CA A:SER9 3.4 12.4 1.0 OE1 A:GLU11 3.5 16.7 1.0 CB A:SER9 3.6 11.7 1.0 C A:SER9 3.7 13.4 1.0 O A:HOH425 3.7 27.0 0.4 O A:HOH343 3.7 23.7 0.4 O A:HOH466 3.7 31.2 0.5 CG2 A:THR10 3.8 18.1 1.0 O A:HOH466 3.9 23.3 0.5 CB A:THR10 3.9 16.0 1.0 CA A:THR10 4.0 14.1 1.0 CD A:GLU11 4.5 20.8 1.0 OE2 A:GLU11 4.6 25.8 1.0 N A:SER9 4.7 12.0 1.0 N A:GLU11 4.7 12.0 1.0 O A:HOH500 4.8 29.8 1.0 O A:TYR8 4.9 13.3 1.0 O A:SER9 4.9 12.1 1.0 OG A:SER9 4.9 12.6 1.0 C A:THR10 4.9 12.3 1.0 O A:HOH374 5.0 32.3 0.4

G.Ferraro, G.Petruk, L.Maiore, F.Pane, A.Amoresano, M.A.Cinellu, D.M.Monti, A.Merlino. Caged Noble Metals: Encapsulation of A Cytotoxic Platinum(II)-Gold(I) Compound Within the Ferritin Nanocage. Int. J. Biol. Macromol. V. 115 1116 2018.
ISSN: ISSN 1879-0003
PubMed: 29709536
DOI: 10.1016/J.IJBIOMAC.2018.04.142