Magnesium in PDB 7ck9: Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain

All present enzymatic activity of Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain:
1.16.3.1;

The structure of Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain, PDB code: 7ck9 was solved by X.Chen, B.Jiang, X.Yan, K.Fan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.94 / 1.60
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	183.207, 183.207, 183.207, 90, 90, 90
R / Rfree (%)	14.9 / 16.9

The structure of Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Magnesium atom in the Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain (pdb code 7ck9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain, PDB code: 7ck9:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg205 b:12.2 occ:0.25 O A:HOH330 2.0 22.0 1.0 O A:HOH332 2.1 24.3 0.5 O A:HOH540 2.1 30.1 1.0 OD1 A:ASP84 4.0 16.3 1.0 OD2 A:ASP84 4.1 19.5 1.0 CG A:ASP84 4.5 18.2 1.0 O A:HOH348 4.7 14.8 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg206 b:15.9 occ:0.31 O A:HOH364 2.0 21.3 1.0 O A:HOH510 2.1 22.4 1.0 OE2 A:GLU134 3.9 20.7 1.0 O A:HOH402 4.2 26.1 1.0 O A:HOH567 4.2 21.7 1.0 OE1 A:GLU134 4.2 28.4 1.0 CD A:GLU134 4.5 24.7 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Doxorubicin Loaded Human Ferritin Heavy Chain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg207 b:17.5 occ:1.00 ND1 A:HIS65 1.9 25.0 1.0 OE2 A:GLU62 2.0 23.9 1.0 OE2 A:GLU27 2.0 20.4 1.0 O A:HOH320 2.0 30.4 1.0 O A:HOH314 2.1 50.4 1.0 O A:HOH338 2.1 20.9 1.0 CE1 A:HIS65 2.7 37.8 1.0 CD A:GLU62 2.9 25.5 1.0 CD A:GLU27 3.0 20.1 1.0 CG A:HIS65 3.1 22.6 1.0 OE1 A:GLU62 3.2 28.3 1.0 OE1 A:GLU27 3.4 19.1 1.0 CB A:HIS65 3.6 16.7 1.0 NE2 A:HIS65 3.9 35.9 1.0 O A:HOH358 4.0 29.9 1.0 OE1 A:GLN141 4.1 21.2 0.7 CD2 A:HIS65 4.1 29.5 1.0 CG1 A:VAL110 4.3 23.1 1.0 CG A:GLU62 4.3 18.0 1.0 CG A:GLU27 4.4 16.7 1.0 OE1 A:GLN141 4.4 23.4 0.3 CA A:GLU62 4.5 15.8 1.0 CB A:GLU62 4.6 13.5 1.0 CB A:GLU27 4.7 14.7 1.0 O A:HOH317 4.8 42.4 1.0 CD A:GLN141 4.9 21.6 0.7 CA A:GLU27 5.0 14.0 1.0 OE1 A:GLU107 5.0 38.8 1.0

B.Jiang, X.Chen, G.Sun, X.Chen, Y.Yin, Y.Jin, Q.Mi, L.Ma, Y.Yang, X.Yan, K.Fan. A Natural Drug Entry Channel in the Ferritin Nanocage. Nano Today V. 35 2020.
ISSN: ISSN 1878-044X
DOI: 10.1016/J.NANTOD.2020.100948