Chlorine in PDB 6ke2: Abloop Reengineered Ferritin Nanocage

All present enzymatic activity of Abloop Reengineered Ferritin Nanocage:
1.16.3.1;

The structure of Abloop Reengineered Ferritin Nanocage, PDB code: 6ke2 was solved by W.M.Wang, H.F.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.33 / 1.80
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	182.448, 182.448, 182.448, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 17.9

The structure of Abloop Reengineered Ferritin Nanocage also contains other interesting chemical elements:

Magnesium	(Mg)	5 atoms
Iron	(Fe)	2 atoms
Calcium	(Ca)	1 atom

The binding sites of Chlorine atom in the Abloop Reengineered Ferritin Nanocage (pdb code 6ke2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Abloop Reengineered Ferritin Nanocage, PDB code: 6ke2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Abloop Reengineered Ferritin Nanocage


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Abloop Reengineered Ferritin Nanocage within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:19.4 occ:1.00 O A:HOH462 2.8 35.4 1.0 O A:HOH499 3.1 30.4 1.0 N A:TYR13 3.2 9.6 1.0 O A:HOH479 3.3 34.0 1.0 O A:TYR13 3.4 10.7 1.0 N A:ASN12 3.5 9.9 1.0 CG A:ARG10 3.6 11.1 1.0 NE A:ARG10 3.7 13.2 1.0 CD A:ARG10 3.8 13.5 1.0 O A:HOH446 3.8 23.4 1.0 C A:GLN11 3.9 11.9 1.0 C A:TYR13 3.9 9.9 1.0 CA A:TYR13 4.0 8.1 1.0 CA A:GLN11 4.0 9.1 1.0 N A:GLN11 4.1 7.3 1.0 CA A:ASN12 4.1 11.2 1.0 C A:ASN12 4.1 7.9 1.0 CB A:TYR13 4.3 8.2 1.0 C A:ARG10 4.3 11.1 1.0 O A:ARG10 4.5 11.5 1.0 CB A:ARG10 4.5 9.7 1.0 O A:GLN11 4.8 9.3 1.0 N A:HIS14 5.0 7.4 1.0 CZ A:ARG10 5.0 13.8 1.0

Chlorine binding site 2 out of 2 in the Abloop Reengineered Ferritin Nanocage


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Abloop Reengineered Ferritin Nanocage within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:26.9 occ:1.00 N A:ASN138 3.0 7.6 1.0 O A:THR134 3.1 13.2 1.0 N A:GLU139 3.1 11.7 1.0 O A:HOH443 3.3 30.9 1.0 O A:HOH475 3.4 28.1 1.0 N A:TYR136 3.4 7.9 1.0 O A:GLU133 3.5 15.5 1.0 CB A:ASN138 3.5 15.7 1.0 C A:HIS135 3.5 13.4 1.0 CA A:ASN138 3.5 13.9 1.0 C A:THR134 3.6 16.2 1.0 N A:LEU137 3.7 7.4 1.0 C A:TYR136 3.7 8.6 1.0 C A:ASN138 3.7 13.2 1.0 O A:HIS135 3.9 8.9 1.0 CA A:HIS135 3.9 9.2 1.0 N A:HIS135 3.9 8.5 1.0 CA A:TYR136 4.0 8.3 1.0 C A:LEU137 4.1 7.3 1.0 O A:TYR136 4.1 8.2 1.0 CB A:GLU139 4.1 18.6 1.0 CA A:GLU139 4.2 13.0 1.0 CG A:GLU139 4.3 38.3 1.0 CA A:LEU137 4.4 7.5 1.0 C A:GLU133 4.5 13.9 1.0 CA A:THR134 4.6 8.4 1.0 O A:HOH396 4.6 26.3 1.0 O A:HOH427 4.8 26.1 1.0 CG A:ASN138 4.8 15.8 1.0 O A:HOH508 4.9 38.3 1.0 O A:ASN138 4.9 10.7 1.0 N A:THR134 4.9 9.6 1.0 O A:ILE132 5.0 7.3 1.0 MG A:MG203 5.0 33.0 1.0

W.Wang, L.Wang, G.Li, G.Zhao, X.Zhao, H.Wang. Ab Loop Engineered Ferritin Nanocages For Drug Loading Under Benign Experimental Conditions. Chem.Commun.(Camb.) V. 55 12344 2019.
ISSN: ESSN 1364-548X
PubMed: 31556881
DOI: 10.1039/C9CC05247J