Chlorine in PDB 5erk: X-Ray Structure of Horse Spleen Apoferritin (Control)

The structure of X-Ray Structure of Horse Spleen Apoferritin (Control), PDB code: 5erk 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)	104.28 / 2.00
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	180.619, 180.619, 180.619, 90.00, 90.00, 90.00
R / Rfree (%)	14.3 / 18.1

The structure of X-Ray Structure of Horse Spleen Apoferritin (Control) also contains other interesting chemical elements:

Cadmium

(Cd)

13 atoms

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

Chlorine binding site 1 out of 3 in the X-Ray Structure of Horse Spleen Apoferritin (Control)


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 Horse Spleen Apoferritin (Control) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl214 b:28.3 occ:0.40 CD A:CD208 2.3 46.6 0.2 OE2 A:GLU130 2.7 41.2 1.0 CD A:GLU130 3.2 32.8 1.0 O A:HOH480 3.2 51.4 1.0 OE1 A:GLU130 3.3 45.2 1.0 CD A:CD209 3.6 59.1 0.2 CG A:GLU130 4.5 30.7 1.0 NE2 A:HIS114 4.7 22.4 0.8 CE1 A:HIS114 4.9 18.5 0.2 NE2 A:HIS114 4.9 18.7 0.2

Chlorine binding site 2 out of 3 in the X-Ray Structure of Horse Spleen Apoferritin (Control)


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 Horse Spleen Apoferritin (Control) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl215 b:25.0 occ:1.00 CD A:CD204 2.6 15.7 0.5 OD1 A:ASP80 3.8 14.4 1.0 OD2 A:ASP80 4.5 11.8 1.0 CG A:ASP80 4.6 14.6 1.0

Chlorine binding site 3 out of 3 in the X-Ray Structure of Horse Spleen Apoferritin (Control)


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 Horse Spleen Apoferritin (Control) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl216 b:19.9 occ:0.40 CD A:CD201 2.6 42.4 0.4 N A:THR10 3.2 15.4 1.0 CA A:SER9 3.5 15.0 1.0 O A:HOH377 3.5 18.1 0.4 O A:HOH396 3.6 59.8 1.0 O A:HOH437 3.6 30.3 0.5 OG1 A:THR10 3.7 21.5 1.0 CB A:SER9 3.7 14.2 1.0 OE1 A:GLU11 3.8 23.4 1.0 C A:SER9 3.9 15.1 1.0 CG2 A:THR10 4.0 19.3 1.0 CB A:THR10 4.2 18.3 1.0 CA A:THR10 4.2 15.3 1.0 O A:HOH437 4.4 37.2 0.5 O A:HOH474 4.7 40.4 1.0 CD A:GLU11 4.7 26.3 1.0 N A:SER9 4.8 14.0 1.0 OE2 A:GLU11 4.9 31.3 1.0 OG A:SER9 4.9 16.2 1.0 O A:TYR8 4.9 15.5 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