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Chlorine in PDB 5mij: X-Ray Structure of Carboplatin-Encapsulated Horse Spleen Apoferritin

Protein crystallography data

The structure of X-Ray Structure of Carboplatin-Encapsulated Horse Spleen Apoferritin, PDB code: 5mij 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) 104.89 / 1.49
Space group F 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 181.670, 181.670, 181.670, 90.00, 90.00, 90.00
R / Rfree (%) 15.8 / 18.1

Other elements in 5mij:

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

Cadmium (Cd) 12 atoms
Platinum (Pt) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Carboplatin-Encapsulated Horse Spleen Apoferritin (pdb code 5mij). 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 Carboplatin-Encapsulated Horse Spleen Apoferritin, PDB code: 5mij:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5mij

Go back to Chlorine Binding Sites List in 5mij
Chlorine binding site 1 out of 4 in the X-Ray Structure of Carboplatin-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 Carboplatin-Encapsulated Horse Spleen Apoferritin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl211

b:6.0
occ:0.20
CD A:CD206 1.6 22.3 0.2
OE1 A:GLU130 2.5 32.0 1.0
OE2 A:GLU130 2.9 26.8 1.0
CD A:GLU130 2.9 27.4 1.0
CG A:GLU130 4.4 22.7 1.0
CD A:CD207 4.6 42.9 0.2

Chlorine binding site 2 out of 4 in 5mij

Go back to Chlorine Binding Sites List in 5mij
Chlorine binding site 2 out of 4 in the X-Ray Structure of Carboplatin-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 Carboplatin-Encapsulated Horse Spleen Apoferritin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl212

b:14.3
occ:1.00
CD A:CD204 2.3 9.3 0.5
OD1 A:ASP80 3.7 9.6 1.0
CG A:ASP80 4.6 10.2 1.0
OD2 A:ASP80 4.7 11.2 1.0

Chlorine binding site 3 out of 4 in 5mij

Go back to Chlorine Binding Sites List in 5mij
Chlorine binding site 3 out of 4 in the X-Ray Structure of Carboplatin-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 Carboplatin-Encapsulated Horse Spleen Apoferritin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl213

b:22.9
occ:0.40
O A:HOH540 2.6 38.6 1.0
CD A:CD201 2.8 39.2 0.4
O A:HOH479 3.0 54.9 1.0
N A:THR10 3.0 12.4 1.0
CA A:SER9 3.4 11.4 1.0
OG1 A:THR10 3.4 19.0 1.0
O A:HOH463 3.5 36.0 1.0
O A:HOH384 3.5 23.7 0.4
OE1 A:GLU11 3.5 17.8 1.0
CB A:SER9 3.7 11.7 1.0
CG2 A:THR10 3.7 17.2 1.0
C A:SER9 3.7 12.9 1.0
CB A:THR10 3.9 16.1 1.0
CA A:THR10 4.0 12.0 1.0
O A:HOH520 4.2 41.0 1.0
CD A:GLU11 4.6 21.2 1.0
O A:HOH511 4.6 31.5 1.0
N A:SER9 4.7 10.8 1.0
O A:HOH311 4.7 38.2 1.0
N A:GLU11 4.7 11.9 1.0
O A:TYR8 4.8 12.8 1.0
OE2 A:GLU11 4.8 24.2 1.0
O A:SER9 4.9 11.1 1.0
C A:THR10 4.9 11.5 1.0
OG A:SER9 5.0 12.4 1.0
O A:HOH518 5.0 64.0 1.0

Chlorine binding site 4 out of 4 in 5mij

Go back to Chlorine Binding Sites List in 5mij
Chlorine binding site 4 out of 4 in the X-Ray Structure of Carboplatin-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 Carboplatin-Encapsulated Horse Spleen Apoferritin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl218

b:17.4
occ:0.30
CD A:CD203 1.8 24.5 0.3
OE1 A:GLU57 2.4 32.8 1.0
OE2 A:GLU57 2.5 33.7 1.0
CD A:GLU57 2.7 31.4 1.0
OE1 A:GLU60 2.7 27.9 1.0
CD A:CD203 3.3 30.7 0.5
CD A:GLU60 3.9 23.0 1.0
CG A:GLU57 4.2 22.8 1.0
OE2 A:GLU60 4.5 32.2 1.0
O A:HOH316 4.7 20.8 0.5
O A:HOH316 5.0 29.4 0.5

Reference:

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
Page generated: Sat Dec 12 12:06:21 2020

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