Magnesium 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:

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

The binding sites of Magnesium atom in the Abloop Reengineered Ferritin Nanocage (pdb code 6ke2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Abloop Reengineered Ferritin Nanocage, PDB code: 6ke2:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the Abloop Reengineered Ferritin Nanocage


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Abloop Reengineered Ferritin Nanocage within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:10.1 occ:0.38 O A:HOH352 2.0 13.2 1.0 O A:HOH317 2.1 15.2 0.5 OD2 A:ASP83 4.0 10.8 1.0 OD1 A:ASP83 4.1 7.9 1.0 CG A:ASP83 4.5 10.6 1.0 O A:HOH348 4.7 5.9 1.0

Magnesium binding site 2 out of 5 in the Abloop Reengineered Ferritin Nanocage


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Abloop Reengineered Ferritin Nanocage within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:9.2 occ:0.33 O A:HOH495 2.1 11.6 1.0 O A:HOH329 2.1 11.8 1.0 OE2 A:GLU133 3.9 12.3 1.0 O A:HOH541 4.2 12.5 1.0 OE1 A:GLU133 4.3 17.0 1.0 O A:HOH359 4.3 17.7 1.0 CD A:GLU133 4.5 16.9 1.0

Magnesium binding site 3 out of 5 in the Abloop Reengineered Ferritin Nanocage


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Abloop Reengineered Ferritin Nanocage within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:33.0 occ:1.00 O A:HOH396 2.0 26.3 1.0 O A:HOH443 2.1 30.9 1.0 O A:HOH508 2.2 38.3 1.0 O A:THR134 4.2 13.2 1.0 O A:HOH475 4.5 28.1 1.0 CA A:THR134 4.6 8.4 1.0 O A:GLU133 4.8 15.5 1.0 C A:THR134 4.8 16.2 1.0 CL A:CL209 5.0 26.9 1.0

Magnesium binding site 4 out of 5 in the Abloop Reengineered Ferritin Nanocage


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Abloop Reengineered Ferritin Nanocage within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg204 b:38.7 occ:1.00 O A:HOH337 2.1 15.7 1.0 O A:HOH394 2.1 35.0 1.0 O A:HOH308 2.1 38.3 1.0 O A:HOH452 2.2 33.2 1.0 NH1 A:ARG78 2.5 34.7 0.5 CZ A:ARG78 3.2 39.5 0.5 NE A:ARG78 3.3 39.8 0.5 OE1 A:GLU18 4.1 11.8 1.0 NE2 A:GLN15 4.2 61.7 1.0 OE2 A:GLU18 4.2 14.6 1.0 OE1 A:GLN15 4.3 63.1 1.0 O A:HOH320 4.4 20.4 1.0 NH2 A:ARG78 4.5 33.3 0.5 CD A:GLU18 4.6 13.0 1.0 NH1 A:ARG10 4.6 13.6 1.0 CD A:ARG78 4.6 33.1 0.5 CD A:GLN15 4.7 54.6 1.0 O A:HOH480 4.7 17.5 1.0 CD A:ARG78 4.8 33.4 0.5

Magnesium binding site 5 out of 5 in the Abloop Reengineered Ferritin Nanocage


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Abloop Reengineered Ferritin Nanocage within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg205 b:54.6 occ:1.00 O A:HOH344 2.0 22.0 1.0 O A:HOH484 2.0 46.5 1.0 O A:HOH459 2.0 40.2 1.0 O A:HOH518 3.3 29.1 1.0 O A:HOH423 3.5 38.7 1.0 ND2 A:ASN124 4.1 28.3 1.0 O A:LYS123 4.2 9.5 1.0 OD1 A:ASN12 4.3 12.8 1.0 O A:HOH520 4.5 18.6 1.0 O A:HOH545 4.5 34.9 1.0 CB A:ASN124 4.6 11.5 1.0 O A:HOH505 4.7 31.8 1.0 CG A:ASN124 4.8 16.2 1.0 O A:HOH413 4.9 27.9 1.0 C A:LYS123 5.0 9.0 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