Chlorine in PDB 6gxj: X-Ray Structure of Diru-1-Encapsulated Apoferritin

The structure of X-Ray Structure of Diru-1-Encapsulated Apoferritin, PDB code: 6gxj was solved by A.Pica, G.Ferraro, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.26 / 1.43
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	180.404, 180.404, 180.404, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 19.1

The structure of X-Ray Structure of Diru-1-Encapsulated Apoferritin also contains other interesting chemical elements:

Cadmium

(Cd)

10 atoms

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

Chlorine binding site 1 out of 2 in the X-Ray Structure of Diru-1-Encapsulated Apoferritin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Diru-1-Encapsulated Apoferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:19.9 occ:0.79 CD A:CD205 2.5 17.1 0.5 OD1 A:ASP80 3.8 15.5 1.0 CG A:ASP80 4.7 16.6 1.0 OD2 A:ASP80 4.8 17.1 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of Diru-1-Encapsulated Apoferritin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Diru-1-Encapsulated Apoferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl211 b:31.4 occ:0.51 CD A:CD203 2.7 23.3 0.3 N A:THR10 3.0 15.8 1.0 OG1 A:THR10 3.4 24.2 1.0 CA A:SER9 3.6 14.8 1.0 CG2 A:THR10 3.7 22.4 1.0 O A:HOH363 3.7 56.7 1.0 OE1 A:GLU11 3.7 21.1 1.0 CB A:SER9 3.8 16.2 1.0 C A:SER9 3.8 16.4 1.0 CB A:THR10 3.9 22.6 1.0 CA A:THR10 4.1 15.4 1.0 O A:HOH456 4.1 58.4 1.0 O A:HOH477 4.7 41.1 1.0 CD A:GLU11 4.7 32.9 1.0 N A:SER9 4.8 15.1 1.0 N A:GLU11 4.9 15.7 1.0 O A:TYR8 4.9 18.3 1.0

G.Petruk, D.M.Monti, G.Ferraro, A.Pica, L.D'elia, F.Pane, A.Amoresano, J.Furrer, K.Kowalski, A.Merlino. Encapsulation of the Dinuclear Trithiolato-Bridged Arene Ruthenium Complex Diruthenium-1 in An Apoferritin Nanocage: Structure and Cytotoxicity. Chemmedchem V. 14 594 2019.
ISSN: ESSN 1860-7187
PubMed: 30674089
DOI: 10.1002/CMDC.201800805