Iron 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
Calcium	(Ca)	1 atom
Chlorine	(Cl)	2 atoms

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

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Abloop Reengineered Ferritin Nanocage within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe206 b:16.8 occ:0.49 OE2 A:GLU28 2.0 12.5 1.0 OE2 A:GLU61 2.1 17.9 1.0 O A:HOH351 2.1 11.3 1.0 O A:HOH326 2.1 22.6 1.0 O A:HOH330 2.2 24.9 1.0 ND1 A:HIS64 2.3 23.8 1.0 CD A:GLU61 3.0 21.8 1.0 CD A:GLU28 3.0 11.6 1.0 CE1 A:HIS64 3.1 45.1 1.0 CG A:HIS64 3.3 18.1 1.0 OE1 A:GLU61 3.3 27.5 1.0 OE1 A:GLU28 3.4 14.2 1.0 CB A:HIS64 3.7 9.9 1.0 OE1 A:GLN140 3.9 17.6 1.0 O A:HOH354 4.0 30.6 1.0 NE2 A:HIS64 4.2 39.7 1.0 CD2 A:HIS64 4.3 31.8 1.0 CG A:GLU28 4.4 7.3 1.0 CG A:GLU61 4.4 11.2 1.0 CG1 A:VAL109 4.4 10.5 1.0 O A:HOH414 4.6 34.7 1.0 CA A:GLU61 4.7 9.1 1.0 CB A:GLU61 4.7 8.7 1.0 CB A:GLU28 4.7 8.0 1.0 OE1 A:GLU106 4.7 25.2 1.0 CD A:GLN140 4.8 14.8 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Abloop Reengineered Ferritin Nanocage within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe207 b:19.6 occ:0.29 O A:HOH437 1.9 32.2 1.0 O A:HOH327 2.1 27.7 1.0 O A:HOH433 2.2 36.2 1.0 O A:HOH360 2.2 35.9 1.0 OE1 A:GLN57 2.3 20.1 1.0 OE1 A:GLU60 2.4 34.0 1.0 CD A:GLN57 3.5 24.2 1.0 CD A:GLU60 3.7 33.4 1.0 O A:HOH361 3.8 30.5 1.0 O A:HOH414 3.8 34.7 1.0 OE1 A:GLU61 3.9 27.5 1.0 O A:HOH466 4.2 23.1 1.0 CB A:GLU60 4.3 12.8 1.0 NE2 A:GLN57 4.3 27.8 1.0 CB A:ALA143 4.4 12.1 1.0 OE2 A:GLU60 4.5 39.6 1.0 CG A:GLN57 4.5 9.2 1.0 O A:HOH335 4.5 22.8 1.0 CB A:GLN57 4.5 7.6 1.0 CA A:GLN57 4.6 10.3 1.0 CG A:GLU60 4.6 18.6 1.0 OE2 A:GLU106 4.8 30.1 1.0 O A:HOH305 4.8 31.6 1.0 OE2 A:GLU139 4.8 62.8 1.0 O A:GLN57 4.8 7.0 1.0 O A:HOH326 4.9 22.6 1.0 CD A:GLU61 4.9 21.8 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