Chlorine in PDB 6fx9: The X-Ray Structure of the Ferritin Nanocage Containing Au and Pt, Obtained Upon Encapsulation of A Single Heterobimetallic Compound Within the Protein Cage (Synchrtron 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 (Synchrtron Data), PDB code: 6fx9 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)	104.89 / 1.50
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	181.680, 181.680, 181.680, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 18.3

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 (Synchrtron Data) also contains other interesting chemical elements:

Cadmium	(Cd)	13 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 (Synchrtron Data) (pdb code 6fx9). 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 (Synchrtron Data), PDB code: 6fx9:
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 (Synchrtron 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 (Synchrtron Data) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl211 b:11.0 occ:0.40 CD A:CD207 1.7 31.8 0.2 OE1 A:GLU130 3.9 30.7 1.0 OE2 A:GLU130 4.5 26.6 1.0 CD A:GLU130 4.6 27.1 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 (Synchrtron 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 (Synchrtron Data) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl212 b:28.3 occ:1.00 CD A:CD204 2.5 16.8 0.5 OD1 A:ASP80 3.7 11.9 1.0 OD2 A:ASP80 4.5 19.9 1.0 CG A:ASP80 4.7 16.9 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 (Synchrtron 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 (Synchrtron Data) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl213 b:22.6 occ:0.40 O A:HOH509 2.8 46.6 1.0 CD A:CD201 2.8 32.2 0.4 N A:THR10 3.0 13.3 1.0 O A:HOH465 3.0 61.4 1.0 CA A:SER9 3.5 12.6 1.0 OG1 A:THR10 3.5 18.9 1.0 O A:HOH438 3.5 37.2 0.4 O A:HOH367 3.6 27.1 0.4 OE1 A:GLU11 3.6 17.9 1.0 O A:HOH464 3.7 44.9 1.0 CB A:SER9 3.7 13.9 1.0 C A:SER9 3.7 13.0 1.0 CG2 A:THR10 3.8 18.0 1.0 CB A:THR10 4.0 16.3 1.0 CA A:THR10 4.1 13.2 1.0 O A:HOH304 4.5 21.6 0.4 CD A:GLU11 4.6 23.8 1.0 N A:SER9 4.7 11.9 1.0 OE2 A:GLU11 4.7 26.8 1.0 N A:GLU11 4.8 12.6 1.0 O A:HOH491 4.8 34.5 1.0 O A:TYR8 4.8 13.4 1.0 OG A:SER9 4.9 13.8 1.0 O A:SER9 4.9 12.4 1.0

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