Chlorine in PDB 6hjt: 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: 6hjt 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)	19.30 / 1.33
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	181.156, 181.156, 181.156, 90.00, 90.00, 90.00
R / Rfree (%)	12.7 / 15.7

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 6hjt). 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: 6hjt:
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:20.8 occ:1.00 CD A:CD204 2.5 14.3 0.5 OD1 A:ASP80 3.7 13.7 1.0 CG A:ASP80 4.6 12.8 1.0 OD2 A:ASP80 4.7 14.6 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:26.4 occ:0.35 CD A:CD201 2.8 36.2 0.3 O A:HOH517 2.8 61.7 1.0 N A:THR10 3.0 14.5 1.0 OG1 A:THR10 3.4 23.7 1.0 CA A:SER9 3.5 14.3 1.0 O A:HOH329 3.5 27.8 0.3 OE1 A:GLU11 3.5 21.9 1.0 CG2 A:THR10 3.7 24.0 1.0 CB A:SER9 3.7 15.4 1.0 O A:HOH468 3.7 53.0 1.0 C A:SER9 3.7 13.9 1.0 CB A:THR10 3.9 20.2 1.0 CA A:THR10 4.0 15.3 1.0 CD A:GLU11 4.6 24.6 1.0 O A:HOH507 4.7 41.3 1.0 N A:SER9 4.7 14.2 1.0 OE2 A:GLU11 4.8 33.2 1.0 N A:GLU11 4.8 14.4 1.0 O A:TYR8 4.8 16.9 1.0 O A:SER9 4.9 14.2 1.0 OG A:SER9 5.0 16.7 1.0 C A:THR10 5.0 14.3 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:67.1 occ:0.40 CL A:CL218 0.0 67.1 0.4 PT A:PT212 2.7 59.2 0.4 CL A:CL218 3.1 41.5 0.3 O A:HOH422 3.3 42.4 0.4 OE2 A:GLU45 3.6 49.5 0.5 CD A:GLU45 4.1 28.9 0.5 CG A:GLU45 4.2 18.4 0.5 O A:HOH334 4.2 56.3 0.4 CD A:CD205 4.4 35.9 0.3 ND1 A:HIS49 4.7 58.7 1.0 O A:HOH317 4.8 45.3 1.0 OE1 A:GLU45 5.0 20.8 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:41.5 occ:0.30 CL A:CL218 0.0 41.5 0.3 CD A:CD205 2.6 35.9 0.3 O A:HOH367 3.0 37.6 0.6 CL A:CL218 3.1 67.1 0.4 SG A:CYS48 3.9 19.5 1.0 CG A:GLU45 4.0 18.4 0.5 O A:HOH449 4.1 37.9 0.5 OD1 A:ASP38 4.1 23.4 1.0 CB A:CYS48 4.6 15.1 1.0 PT A:PT212 4.6 59.2 0.4 CD A:GLU45 4.7 28.9 0.5 CB A:GLU45 4.8 13.6 0.5 O A:HOH367 4.8 16.8 0.4 O A:GLU45 4.9 14.5 0.5 O A:GLU45 4.9 14.1 0.5 CG A:ASP38 4.9 18.1 1.0 CG A:GLU45 4.9 34.9 0.5 CA A:GLU45 5.0 12.7 0.5 NH1 A:ARG52 5.0 44.4 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