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

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

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

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 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 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 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 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

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