Chlorine in PDB 5erj: X-Ray Structure of Cisplatin-Encapsulated Horse Spleen Apoferritin

The structure of X-Ray Structure of Cisplatin-Encapsulated Horse Spleen Apoferritin, PDB code: 5erj was solved by N.Pontillo, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	104.44 / 1.45
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	180.899, 180.899, 180.899, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 17.3

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

Cadmium	(Cd)	15 atoms
Platinum	(Pt)	1 atom

The binding sites of Chlorine atom in the X-Ray Structure of Cisplatin-Encapsulated Horse Spleen Apoferritin (pdb code 5erj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the X-Ray Structure of Cisplatin-Encapsulated Horse Spleen Apoferritin, PDB code: 5erj:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the X-Ray Structure of Cisplatin-Encapsulated Horse Spleen 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 Cisplatin-Encapsulated Horse Spleen Apoferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:18.4 occ:1.00 CD A:CD208 2.4 10.4 0.4 CD A:CD208 2.8 19.5 0.1 O A:HOH342 3.2 16.7 1.0 OD2 A:ASP80 3.5 12.8 1.0 OD1 A:ASP80 3.8 10.7 1.0 O A:HOH349 3.9 46.3 1.0 CG A:ASP80 4.0 11.7 1.0 OE1 A:GLN79 4.9 34.4 1.0

Chlorine binding site 2 out of 4 in the X-Ray Structure of Cisplatin-Encapsulated Horse Spleen 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 Cisplatin-Encapsulated Horse Spleen Apoferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:12.6 occ:0.20 O A:HOH337 1.0 31.7 0.8 CD A:CD212 1.9 42.0 0.2 OE1 A:GLU130 2.8 39.5 1.0 OE2 A:GLU130 3.2 38.2 1.0 CD A:GLU130 3.2 38.4 1.0 CG A:GLU130 4.5 27.7 1.0 CD A:CD213 4.7 56.4 0.4

Chlorine binding site 3 out of 4 in the X-Ray Structure of Cisplatin-Encapsulated Horse Spleen Apoferritin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of Cisplatin-Encapsulated Horse Spleen Apoferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:19.2 occ:0.40 CD A:CD205 2.6 22.9 0.4 N A:THR10 3.2 14.2 1.0 O A:HOH386 3.5 41.0 1.0 OE1 A:GLU11 3.6 20.9 1.0 OG1 A:THR10 3.6 21.8 1.0 O A:HOH449 3.6 41.8 1.0 CA A:SER9 3.6 12.4 1.0 CB A:SER9 3.8 14.7 1.0 C A:SER9 3.9 13.4 1.0 CG2 A:THR10 3.9 18.5 1.0 O A:HOH484 4.1 29.0 0.4 CB A:THR10 4.2 17.0 1.0 CA A:THR10 4.2 14.0 1.0 O A:HOH469 4.3 57.8 1.0 O A:HOH482 4.6 47.1 1.0 CD A:GLU11 4.6 27.2 1.0 OE2 A:GLU11 4.8 30.8 1.0 N A:SER9 4.9 11.4 1.0 N A:GLU11 4.9 14.1 1.0

Chlorine binding site 4 out of 4 in the X-Ray Structure of Cisplatin-Encapsulated Horse Spleen Apoferritin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of Cisplatin-Encapsulated Horse Spleen Apoferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:44.0 occ:0.60 O A:HOH504 2.5 25.6 0.6 CD A:CD216 2.7 56.7 0.4 OE1 A:GLU45 3.1 27.1 0.4 CD A:CD217 3.2 44.1 0.2 CD A:GLU45 3.2 22.6 0.4 OE2 A:GLU45 3.4 25.6 0.4 CG A:GLU45 4.2 19.3 0.4 O A:HOH395 4.6 55.7 1.0 O A:HIS173 4.8 53.3 1.0 O A:HOH439 4.9 42.0 1.0

N.Pontillo, F.Pane, L.Messori, A.Amoresano, A.Merlino. Cisplatin Encapsulation Within A Ferritin Nanocage: A High-Resolution Crystallographic Study. Chem.Commun.(Camb.) V. 52 4136 2016.
ISSN: ESSN 1364-548X
PubMed: 26888424
DOI: 10.1039/C5CC10365G