Cadmium 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:

Platinum	(Pt)	5 atoms
Chlorine	(Cl)	4 atoms

The binding sites of Cadmium 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 Cadmium atom.
In total 7 binding sites of Cadmium 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 Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7;

Cadmium binding site 1 out of 7 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 Cadmium with other atoms in the Cd 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:Cd201 b:34.9 occ:0.35 O A:HOH360 2.0 74.8 1.0 OE1 A:GLU11 2.4 28.3 1.0 OE2 A:GLU11 2.6 42.4 1.0 O A:HOH341 2.6 66.3 0.4 CD A:GLU11 2.8 31.9 1.0 CL A:CL209 2.8 35.5 0.5 O A:HOH440 3.8 70.4 1.0 OG1 A:THR10 3.9 31.6 1.0 CG A:GLU11 4.3 26.5 1.0 CB A:SER9 4.5 23.5 1.0 OE1 A:GLN120 4.6 43.5 1.0 N A:THR10 4.7 19.7 1.0 NE2 A:GLN120 4.8 41.5 1.0 N A:GLU11 5.0 20.6 1.0 CD A:GLN120 5.0 37.0 1.0

Cadmium binding site 2 out of 7 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 Cadmium with other atoms in the Cd 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:Cd202 b:79.0 occ:0.35 O A:HOH306 2.1 48.0 0.5 OE1 A:GLU56 2.5 60.2 1.0 OE2 A:GLU53 2.5 48.9 0.5 CD A:GLU56 3.3 46.0 1.0 OE2 A:GLU56 3.3 67.4 1.0 CD A:GLU53 3.6 38.8 0.5 OE1 A:GLU53 4.0 44.3 0.5 O A:HOH307 4.4 55.7 0.3 CG A:GLU56 4.6 30.6 1.0 CG A:GLU53 4.8 29.3 0.5 CG A:GLU53 4.9 28.4 0.5 CD A:CD203 5.0 78.9 0.3 CB A:GLU56 5.0 22.6 1.0

Cadmium binding site 3 out of 7 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 Cadmium with other atoms in the Cd 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:Cd203 b:78.9 occ:0.35 OE2 A:GLU56 2.3 67.4 1.0 OE2 A:GLU60 2.3 48.6 1.0 O A:HOH302 2.4 69.7 1.0 OE1 A:GLU60 2.6 48.0 1.0 CD A:GLU60 2.7 49.0 1.0 CD A:GLU56 3.3 46.0 1.0 CG A:GLU56 3.8 30.6 1.0 CG A:GLU60 4.2 27.9 1.0 OE1 A:GLU56 4.4 60.2 1.0 OE1 A:GLU53 4.5 44.3 0.5 O A:HOH306 4.8 48.0 0.5 CD A:CD202 5.0 79.0 0.3

Cadmium binding site 4 out of 7 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 Cadmium with other atoms in the Cd 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:Cd204 b:21.3 occ:0.50 OD1 A:ASP80 2.3 18.7 1.0 OD2 A:ASP80 2.4 21.5 1.0 CL A:CL208 2.4 31.4 1.0 CG A:ASP80 2.7 19.5 1.0 CB A:ASP80 4.2 20.8 1.0 O A:HOH338 4.3 27.8 1.0 O A:HOH326 4.6 37.4 1.0

Cadmium binding site 5 out of 7 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 Cadmium with other atoms in the Cd binding site number 5 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:Cd205 b:41.7 occ:0.30 SG A:CYS48 2.0 25.8 1.0 CL A:CL218 2.2 37.1 0.3 CB A:CYS48 3.1 21.3 1.0 C A:CYS48 3.5 17.9 1.0 N A:HIS49 3.5 19.9 1.0 CD A:ARG52 3.6 38.2 1.0 CA A:CYS48 3.9 18.8 1.0 O A:CYS48 3.9 20.2 1.0 CA A:HIS49 4.0 22.4 1.0 NH1 A:ARG52 4.0 51.2 1.0 CL A:CL218 4.1 48.3 0.4 O A:HOH385 4.3 41.8 0.4 CG A:ARG52 4.3 30.2 1.0 O A:GLU45 4.3 20.3 0.5 O A:GLU45 4.3 20.8 0.5 PT A:PT212 4.4 72.9 0.4 CB A:HIS49 4.5 27.4 1.0 NE A:ARG52 4.7 37.4 1.0 CZ A:ARG52 4.8 47.9 1.0 CB A:ARG52 4.9 23.1 1.0 N A:CYS48 5.0 17.8 1.0

Cadmium binding site 6 out of 7 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 Cadmium with other atoms in the Cd binding site number 6 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:Cd206 b:47.2 occ:0.16 O A:HOH404 2.1 48.7 1.0 OE1 A:GLU130 2.3 46.1 1.0 O A:HOH312 3.0 67.8 1.0 CD A:GLU130 3.3 38.3 1.0 OE2 A:GLU130 3.6 49.4 1.0 CD A:CD207 4.1 57.2 0.2 CG A:GLU130 4.7 35.5 1.0 CB A:GLU130 5.0 35.7 1.0

Cadmium binding site 7 out of 7 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 Cadmium with other atoms in the Cd binding site number 7 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:Cd207 b:57.2 occ:0.25 O A:HOH406 2.2 40.1 0.4 O A:HOH312 2.3 67.8 1.0 OD1 A:ASP127 3.5 56.8 1.0 CD A:CD206 4.1 47.2 0.2 OG A:SER131 4.1 64.7 1.0 OE1 A:GLU130 4.3 46.1 1.0 CG A:ASP127 4.7 42.2 1.0 CB A:GLU130 5.0 35.7 1.0

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