Iron in PDB 4lqv: Thrirty Minutes Iron Loaded Frog M Ferritin

All present enzymatic activity of Thrirty Minutes Iron Loaded Frog M Ferritin:
1.16.3.1;

The structure of Thrirty Minutes Iron Loaded Frog M Ferritin, PDB code: 4lqv was solved by S.Mangani, F.Di Pisa, C.Pozzi, P.Turano, D.Lalli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.23 / 1.54
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	184.084, 184.084, 184.084, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 19.3

The structure of Thrirty Minutes Iron Loaded Frog M Ferritin also contains other interesting chemical elements:

Magnesium	(Mg)	6 atoms
Chlorine	(Cl)	5 atoms

The binding sites of Iron atom in the Thrirty Minutes Iron Loaded Frog M Ferritin (pdb code 4lqv). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Thrirty Minutes Iron Loaded Frog M Ferritin, PDB code: 4lqv:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Thrirty Minutes Iron Loaded Frog M Ferritin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Thrirty Minutes Iron Loaded Frog M Ferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:5.1 occ:0.20 O A:HOH668 2.3 14.2 0.2 NE2 A:HIS169 2.3 9.6 1.0 CL A:CL211 2.4 10.2 0.2 CE1 A:HIS169 3.1 9.2 1.0 CD2 A:HIS169 3.5 9.2 1.0 ND1 A:HIS169 4.3 9.8 1.0 O A:HOH567 4.4 33.2 1.0 CG A:HIS169 4.5 9.4 1.0

Iron binding site 2 out of 3 in the Thrirty Minutes Iron Loaded Frog M Ferritin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Thrirty Minutes Iron Loaded Frog M Ferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:10.4 occ:0.50 OE1 A:GLU23 1.9 11.7 1.0 OE1 A:GLU58 2.0 17.1 1.0 O A:HOH645 2.1 21.7 1.0 O A:HOH665 2.2 13.9 1.0 ND1 A:HIS61 2.3 13.6 1.0 CD A:GLU23 2.8 10.9 1.0 CD A:GLU58 3.1 15.8 1.0 OE2 A:GLU23 3.1 11.8 1.0 CE1 A:HIS61 3.1 14.0 1.0 CG A:HIS61 3.4 12.8 1.0 OE2 A:GLU58 3.5 17.7 1.0 FE A:FE2203 3.6 10.0 0.3 CB A:HIS61 3.7 11.8 1.0 CG1 A:VAL106 4.0 8.3 1.0 OE1 A:GLN137 4.2 15.7 1.0 CG A:GLU23 4.2 10.1 1.0 NE2 A:HIS61 4.3 14.1 1.0 CG A:GLU58 4.3 14.1 1.0 O A:HOH367 4.3 15.2 1.0 O A:HOH660 4.3 19.0 1.0 CD2 A:HIS61 4.4 13.5 1.0 CA A:GLU58 4.4 11.4 1.0 CB A:GLU58 4.5 12.4 1.0 CB A:GLU23 4.7 8.9 1.0 CA A:GLU23 5.0 8.2 1.0

Iron binding site 3 out of 3 in the Thrirty Minutes Iron Loaded Frog M Ferritin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Thrirty Minutes Iron Loaded Frog M Ferritin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe203 b:10.0 occ:0.30 OE2 A:GLU58 1.8 17.7 1.0 O A:HOH660 1.9 19.0 1.0 O A:HOH645 2.0 21.7 1.0 OE2 A:GLU103 2.3 14.0 1.0 O A:HOH443 2.4 29.3 1.0 OE1 A:GLU103 2.6 13.8 1.0 CD A:GLU103 2.7 12.8 1.0 CD A:GLU58 2.8 15.8 1.0 OE1 A:GLU58 3.2 17.1 1.0 FE A:FE2202 3.6 10.4 0.5 CG A:GLU58 4.0 14.1 1.0 OE1 A:GLN137 4.0 15.7 1.0 NE2 A:GLN137 4.0 15.1 1.0 OD2 A:ASP140 4.2 12.1 0.8 CG A:GLU103 4.3 11.5 1.0 CE2 A:TYR30 4.4 9.8 1.0 CD A:GLN137 4.4 14.0 1.0 CE1 A:HIS61 4.5 14.0 1.0 OE2 A:GLU57 4.5 14.5 0.5 OH A:TYR30 4.7 11.2 1.0 ND1 A:HIS61 4.7 13.6 1.0 O A:HOH665 4.8 13.9 1.0 ND1 A:HIS54 4.9 15.4 1.0 CD A:GLU57 4.9 14.3 0.5

S.Mangani, F.Di Pisa, C.Pozzi, P.Turano, D.Lalli. Crystallographic Snapshots of Iron in Frog M Ferritin To Be Published.