Chlorine in PDB 6hju: The X-Ray Structure of the Horse Spleen Ferritin Nanocage Containing Pt, Obtained Upon Encapsulation of A Pt(II) Terpyridine Compound Within the Protein Cage

Protein crystallography data

The structure of The X-Ray Structure of the Horse Spleen Ferritin Nanocage Containing Pt, Obtained Upon Encapsulation of A Pt(II) Terpyridine Compound Within the Protein Cage, PDB code: 6hju 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) 90.30 / 1.58
Space group F 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 180.530, 180.530, 180.530, 90.00, 90.00, 90.00
R / Rfree (%) 13.2 / 18.2

Other elements in 6hju:

The structure of The X-Ray Structure of the Horse Spleen Ferritin Nanocage Containing Pt, Obtained Upon Encapsulation of A Pt(II) Terpyridine Compound Within the Protein Cage also contains other interesting chemical elements:

Cadmium (Cd) 7 atoms
Platinum (Pt) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The X-Ray Structure of the Horse Spleen Ferritin Nanocage Containing Pt, Obtained Upon Encapsulation of A Pt(II) Terpyridine Compound Within the Protein Cage (pdb code 6hju). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The X-Ray Structure of the Horse Spleen Ferritin Nanocage Containing Pt, Obtained Upon Encapsulation of A Pt(II) Terpyridine Compound Within the Protein Cage, PDB code: 6hju:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6hju

Go back to Chlorine Binding Sites List in 6hju
Chlorine binding site 1 out of 4 in the The X-Ray Structure of the Horse Spleen Ferritin Nanocage Containing Pt, Obtained Upon Encapsulation of A Pt(II) Terpyridine Compound Within the Protein Cage


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The X-Ray Structure of the Horse Spleen Ferritin Nanocage Containing Pt, Obtained Upon Encapsulation of A Pt(II) Terpyridine Compound Within the Protein Cage within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:31.4
occ:1.00
CD A:CD204 2.4 21.3 0.5
OD1 A:ASP80 3.7 18.7 1.0
CG A:ASP80 4.6 19.5 1.0
OD2 A:ASP80 4.7 21.5 1.0

Chlorine binding site 2 out of 4 in 6hju

Go back to Chlorine Binding Sites List in 6hju
Chlorine binding site 2 out of 4 in the The X-Ray Structure of the Horse Spleen Ferritin Nanocage Containing Pt, Obtained Upon Encapsulation of A Pt(II) Terpyridine Compound Within the Protein Cage


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The X-Ray Structure of the Horse Spleen Ferritin Nanocage Containing Pt, Obtained Upon Encapsulation of A Pt(II) Terpyridine Compound Within the Protein Cage within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl209

b:35.5
occ:0.45
CD A:CD201 2.8 34.9 0.3
N A:THR10 3.1 19.7 1.0
OG1 A:THR10 3.4 31.6 1.0
CA A:SER9 3.5 22.5 1.0
OE1 A:GLU11 3.5 28.3 1.0
O A:HOH430 3.7 60.8 1.0
CB A:SER9 3.7 23.5 1.0
CG2 A:THR10 3.7 29.1 1.0
O A:HOH456 3.8 0.2 1.0
C A:SER9 3.8 21.1 1.0
O A:HOH341 3.8 66.3 0.4
CB A:THR10 4.0 26.4 1.0
CA A:THR10 4.1 22.4 1.0
CD A:GLU11 4.6 31.9 1.0
O A:HOH360 4.6 74.8 1.0
N A:SER9 4.8 21.8 1.0
O A:TYR8 4.9 23.8 1.0
N A:GLU11 4.9 20.6 1.0
OE2 A:GLU11 4.9 42.4 1.0
OG A:SER9 5.0 23.2 1.0

Chlorine binding site 3 out of 4 in 6hju

Go back to Chlorine Binding Sites List in 6hju
Chlorine binding site 3 out of 4 in the The X-Ray Structure of the Horse Spleen Ferritin Nanocage Containing Pt, Obtained Upon Encapsulation of A Pt(II) Terpyridine Compound Within the Protein Cage


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The X-Ray Structure of the Horse Spleen Ferritin Nanocage Containing Pt, Obtained Upon Encapsulation of A Pt(II) Terpyridine Compound Within the Protein Cage within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl218

b:48.3
occ:0.40
CL A:CL218 0.0 48.3 0.4
CL A:CL218 3.0 37.1 0.3
OE2 A:GLU45 3.0 75.9 0.5
PT A:PT212 3.5 72.9 0.4
CG A:GLU45 3.5 36.0 0.5
CD A:GLU45 3.6 59.4 0.5
O A:HOH426 3.7 39.5 0.4
CD A:CD205 4.1 41.7 0.3
OE1 A:GLU45 4.5 55.7 0.5
CB A:GLU45 4.6 26.0 0.5
OE1 A:GLU45 4.6 67.0 0.5
CD A:GLU45 4.7 45.2 0.5
CB A:GLU45 5.0 24.3 0.5

Chlorine binding site 4 out of 4 in 6hju

Go back to Chlorine Binding Sites List in 6hju
Chlorine binding site 4 out of 4 in the The X-Ray Structure of the Horse Spleen Ferritin Nanocage Containing Pt, Obtained Upon Encapsulation of A Pt(II) Terpyridine Compound Within the Protein Cage


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The X-Ray Structure of the Horse Spleen Ferritin Nanocage Containing Pt, Obtained Upon Encapsulation of A Pt(II) Terpyridine Compound Within the Protein Cage within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl218

b:37.1
occ:0.30
CL A:CL218 0.0 37.1 0.3
CD A:CD205 2.2 41.7 0.3
CL A:CL218 3.0 48.3 0.4
SG A:CYS48 3.3 25.8 1.0
OE2 A:GLU45 3.5 40.1 0.5
OD1 A:ASP38 3.8 26.9 1.0
CD A:GLU45 3.9 45.2 0.5
CB A:CYS48 3.9 21.3 1.0
OE1 A:GLU45 4.1 55.7 0.5
CG A:ASP38 4.3 23.8 1.0
CG A:GLU45 4.3 36.0 0.5
CB A:ASP38 4.4 19.3 1.0
CB A:GLU45 4.6 26.0 0.5
O A:GLU45 4.7 20.3 0.5
O A:GLU45 4.7 20.8 0.5
CG A:GLU45 4.7 36.9 0.5
NH1 A:ARG52 4.8 51.2 1.0
CA A:GLU45 4.8 22.0 0.5
CA A:GLU45 5.0 21.4 0.5
PT A:PT212 5.0 72.9 0.4

Reference:

G.Ferraro, A.Pica, G.Petruk, F.Pane, A.Amoresano, A.Cilibrizzi, R.Vilar, D.M.Monti, A.Merlino. Preparation, Structure, Cytotoxicity and Mechanism of Action of Ferritin-Pt(II) Terpyridine Compound Nanocomposites. Nanomedicine (Lond) V. 13 2995 2018.
ISSN: ISSN 1748-6963
PubMed: 30501559
DOI: 10.2217/NNM-2018-0259
Page generated: Sat Dec 12 13:05:11 2020

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