Iron in PDB 6ke4: 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: 6ke4 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)	30.44 / 2.30
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	182.642, 182.642, 182.642, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 23.6

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

Magnesium	(Mg)	3 atoms
Calcium	(Ca)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Iron atom in the Abloop Reengineered Ferritin Nanocage (pdb code 6ke4). 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: 6ke4:
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:Fe201 b:54.2 occ:1.00 OE2 A:GLU60 2.1 27.3 1.0 OE2 A:GLU28 2.1 20.6 1.0 ND1 A:HIS63 2.3 31.0 1.0 O A:HOH313 2.4 19.4 1.0 O A:HOH342 2.5 29.7 1.0 CE1 A:HIS63 3.1 53.2 1.0 CD A:GLU28 3.1 14.9 1.0 CD A:GLU60 3.1 22.0 1.0 CG A:HIS63 3.2 24.9 1.0 OE1 A:GLU28 3.4 15.5 1.0 OE1 A:GLU60 3.4 32.5 1.0 CB A:HIS63 3.6 17.6 1.0 OE1 A:GLN139 4.1 20.9 1.0 NE2 A:HIS63 4.2 50.7 1.0 CD2 A:HIS63 4.3 32.4 1.0 CG1 A:VAL108 4.4 13.7 1.0 CG A:GLU28 4.5 11.8 1.0 CG A:GLU60 4.5 18.2 1.0 CA A:GLU60 4.7 19.0 1.0 OE1 A:GLU105 4.7 22.8 1.0 CB A:GLU28 4.8 11.6 1.0 CB A:GLU60 4.9 17.9 1.0 CD A:GLN139 4.9 15.2 1.0 NE2 A:GLN139 4.9 18.1 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:Fe202 b:81.6 occ:1.00 OE1 A:GLN56 2.4 36.2 1.0 O A:HOH330 2.7 41.4 1.0 OE1 A:GLU59 3.0 45.3 1.0 OE1 A:GLU60 3.5 32.5 1.0 CD A:GLN56 3.6 26.6 1.0 O A:HOH376 4.0 29.4 1.0 CB A:ALA142 4.2 13.3 1.0 O A:HOH342 4.2 29.7 1.0 CD A:GLU59 4.2 46.9 1.0 CG A:GLN56 4.3 21.0 1.0 O A:HOH335 4.5 42.1 1.0 CB A:GLU59 4.5 19.0 1.0 O A:HOH377 4.6 24.5 1.0 CB A:GLN56 4.6 14.5 1.0 CA A:GLN56 4.6 16.2 1.0 NE2 A:GLN56 4.7 28.4 1.0 CD A:GLU60 4.7 22.0 1.0 O A:GLN56 4.8 13.8 1.0 OE2 A:GLU105 4.8 34.7 1.0 OH A:TYR35 4.9 22.5 1.0 CE2 A:TYR35 5.0 15.8 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