Chlorine in PDB 5mik: X-Ray Structure of Carboplatin-Encapsulated Horse Spleen Apoferritin (Rotating Anode Data)

The structure of X-Ray Structure of Carboplatin-Encapsulated Horse Spleen Apoferritin (Rotating Anode Data), PDB code: 5mik was solved by N.Pontillo, G.Ferraro, J.R.Helliwell, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	104.30 / 1.96
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	180.654, 180.654, 180.654, 90.00, 90.00, 90.00
R / Rfree (%)	14.6 / 19.2

The structure of X-Ray Structure of Carboplatin-Encapsulated Horse Spleen Apoferritin (Rotating Anode Data) also contains other interesting chemical elements:

Cadmium	(Cd)	13 atoms
Platinum	(Pt)	4 atoms

The binding sites of Chlorine atom in the X-Ray Structure of Carboplatin-Encapsulated Horse Spleen Apoferritin (Rotating Anode Data) (pdb code 5mik). 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 Carboplatin-Encapsulated Horse Spleen Apoferritin (Rotating Anode Data), PDB code: 5mik:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the X-Ray Structure of Carboplatin-Encapsulated Horse Spleen Apoferritin (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 X-Ray Structure of Carboplatin-Encapsulated Horse Spleen Apoferritin (Rotating Anode Data) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl212 b:22.8 occ:0.40 CD A:CD206 1.7 39.8 0.2 OE2 A:GLU130 2.8 31.7 1.0 OE1 A:GLU130 2.9 40.5 1.0 CD A:GLU130 3.1 31.4 1.0 CG A:GLU130 4.5 30.3 1.0 CD A:CD207 4.5 50.5 0.2

Chlorine binding site 2 out of 3 in the X-Ray Structure of Carboplatin-Encapsulated Horse Spleen Apoferritin (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 X-Ray Structure of Carboplatin-Encapsulated Horse Spleen Apoferritin (Rotating Anode Data) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl213 b:29.8 occ:1.00 CD A:CD204 2.3 18.1 0.5 OD1 A:ASP80 3.8 15.5 1.0 OD2 A:ASP80 4.4 15.7 1.0 CG A:ASP80 4.6 15.4 1.0

Chlorine binding site 3 out of 3 in the X-Ray Structure of Carboplatin-Encapsulated Horse Spleen Apoferritin (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 X-Ray Structure of Carboplatin-Encapsulated Horse Spleen Apoferritin (Rotating Anode Data) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl214 b:34.9 occ:0.30 CD A:CD203 2.2 46.5 0.3 OE2 A:GLU57 2.7 14.7 0.3 OE1 A:GLU60 3.2 34.0 1.0 CD A:GLU57 3.7 15.7 0.3 OE1 A:GLU57 4.2 16.4 0.3 NH2 A:ARG64 4.3 37.1 0.5 CD A:GLU60 4.4 32.4 1.0 CD A:CD203 4.4 51.4 0.5 CG A:GLU57 4.6 27.7 0.7 CB A:GLU60 4.9 20.6 1.0 O A:HOH474 4.9 21.0 0.5 CG A:GLU57 5.0 15.4 0.3 NH1 A:ARG64 5.0 30.6 0.5

N.Pontillo, G.Ferraro, J.R.Helliwell, A.Amoresano, A.Merlino. X-Ray Structure of the Carboplatin-Loaded Apo-Ferritin Nanocage. Acs Med Chem Lett V. 8 433 2017.
ISSN: ISSN 1948-5875
PubMed: 28435532
DOI: 10.1021/ACSMEDCHEMLETT.7B00025