Iron in PDB 4ml5: One Minute Iron Loaded Frog M Ferritin Mutant H54Q

All present enzymatic activity of One Minute Iron Loaded Frog M Ferritin Mutant H54Q:
1.16.3.1;

The structure of One Minute Iron Loaded Frog M Ferritin Mutant H54Q, PDB code: 4ml5 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)	21.71 / 1.22
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	184.230, 184.230, 184.230, 90.00, 90.00, 90.00
R / Rfree (%)	13.9 / 15.4

The structure of One Minute Iron Loaded Frog M Ferritin Mutant H54Q also contains other interesting chemical elements:

Magnesium	(Mg)	9 atoms
Chlorine	(Cl)	16 atoms

The binding sites of Iron atom in the One Minute Iron Loaded Frog M Ferritin Mutant H54Q (pdb code 4ml5). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the One Minute Iron Loaded Frog M Ferritin Mutant H54Q, PDB code: 4ml5:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the One Minute Iron Loaded Frog M Ferritin Mutant H54Q


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of One Minute Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:8.8 occ:0.70 OE1 A:GLU23 2.0 7.9 1.0 OE1 A:GLU58 2.1 9.8 1.0 O A:HOH663 2.1 9.7 1.0 O A:HOH673 2.1 8.6 1.0 ND1 A:HIS61 2.2 9.7 1.0 CD A:GLU23 3.0 7.4 1.0 CD A:GLU58 3.0 9.2 1.0 CE1 A:HIS61 3.1 10.0 1.0 CG A:HIS61 3.2 9.4 1.0 OE2 A:GLU23 3.3 8.1 1.0 OE2 A:GLU58 3.4 10.1 1.0 CB A:HIS61 3.6 8.5 1.0 CG1 A:VAL106 3.9 6.5 1.0 NE2 A:HIS61 4.2 10.5 1.0 OE1 A:GLN137 4.2 7.7 1.0 O A:HOH360 4.2 9.3 1.0 CD2 A:HIS61 4.3 9.8 1.0 CG A:GLU23 4.3 6.8 1.0 CG A:GLU58 4.3 8.4 1.0 CA A:GLU58 4.4 7.9 1.0 CB A:GLU58 4.6 8.0 1.0 CB A:GLU23 4.6 6.1 1.0 O A:HOH649 4.7 13.6 1.0 CA A:GLU23 4.9 5.9 1.0 O A:GLU58 4.9 7.6 1.0 CG2 A:VAL106 4.9 6.5 1.0 CD A:GLN137 4.9 7.2 1.0 CB A:VAL106 5.0 6.4 1.0

Iron binding site 2 out of 4 in the One Minute Iron Loaded Frog M Ferritin Mutant H54Q


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of One Minute Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:20.0 occ:0.20 OD1 A:ASP140 2.3 10.8 0.4 OE2 A:GLU136 2.5 11.1 0.7 O A:HOH669 2.6 12.2 1.0 O A:HOH484 2.6 22.7 1.0 OE2 A:GLU57 2.6 12.4 0.3 CG A:ASP140 2.9 9.3 0.4 OD2 A:ASP140 3.2 10.8 0.4 NH1 A:ARG143 3.3 12.8 1.0 O A:HOH388 3.3 15.4 1.0 OD1 A:ASP140 3.4 8.3 0.6 CD A:GLU136 3.4 10.6 0.7 CG A:ASP140 3.5 7.7 0.6 OE1 A:GLU136 3.5 11.5 0.7 CD A:GLU57 3.6 11.1 0.3 OD2 A:ASP140 3.9 8.5 0.6 OE1 A:GLU57 3.9 11.8 0.7 O A:HOH437 4.0 17.3 1.0 CB A:ASP140 4.0 7.6 0.6 OE1 A:GLU57 4.1 12.2 0.3 O A:HOH637 4.1 36.9 1.0 OE1 A:GLN54 4.2 11.6 0.5 CB A:ASP140 4.2 8.3 0.4 CZ A:ARG143 4.2 12.4 1.0 FE A:FE2204 4.2 5.8 0.3 FE A:FE2203 4.4 10.2 0.2 CD A:GLU57 4.4 10.6 0.7 OE2 A:GLU57 4.5 11.2 0.7 O A:HOH649 4.5 13.6 1.0 CG A:GLU57 4.8 10.5 0.3 O A:HOH425 4.8 20.9 1.0 NE A:ARG143 4.8 11.5 1.0 CA A:ASP140 4.8 7.2 0.5 CG A:GLU136 4.8 10.5 1.0 CA A:ASP140 4.9 7.4 0.5 NE2 A:GLN54 4.9 8.3 0.5

Iron binding site 3 out of 4 in the One Minute Iron Loaded Frog M Ferritin Mutant H54Q


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of One Minute Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe203 b:10.2 occ:0.20 OE2 A:GLU57 2.0 11.2 0.7 O A:HOH437 2.0 17.3 1.0 OE2 A:GLU53 2.1 10.9 0.5 O A:HOH546 2.1 20.7 1.0 O A:HOH489 2.2 22.1 1.0 O A:HOH484 2.2 22.7 1.0 CD A:GLU57 3.0 10.6 0.7 OE1 A:GLU57 3.2 12.2 0.3 CD A:GLU53 3.2 10.0 0.5 OE1 A:GLU57 3.4 11.8 0.7 CG A:GLU53 3.5 10.4 0.5 OE2 A:GLU53 3.6 16.9 0.5 CG A:GLU53 3.7 9.2 0.5 CD A:GLU53 4.0 10.1 0.5 O A:HOH532 4.0 21.1 1.0 CD A:GLU57 4.1 11.1 0.3 O A:HOH678 4.2 16.6 1.0 NH1 A:ARG143 4.2 12.8 1.0 O A:HOH637 4.3 36.9 1.0 OE1 A:GLU53 4.3 11.2 0.5 OE2 A:GLU57 4.3 12.4 0.3 CG A:GLU57 4.3 9.9 0.7 FE A:FE2202 4.4 20.0 0.2 O A:HOH454 4.5 18.0 1.0 NH2 A:ARG143 4.5 13.3 1.0 OE1 A:GLN54 4.6 11.6 0.5 CZ A:ARG143 4.8 12.4 1.0 CB A:GLU53 4.9 9.3 0.5 CB A:GLU53 4.9 8.7 0.5

Iron binding site 4 out of 4 in the One Minute Iron Loaded Frog M Ferritin Mutant H54Q


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of One Minute Iron Loaded Frog M Ferritin Mutant H54Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe204 b:5.8 occ:0.30 OD2 A:ASP140 2.0 8.5 0.6 OE1 A:GLN54 2.1 7.1 0.5 O A:HOH589 2.1 10.8 1.0 O A:HOH669 2.1 12.2 1.0 OE2 A:GLU103 2.2 9.4 1.0 O A:HOH649 2.3 13.6 1.0 NE2 A:GLN54 2.6 11.2 0.5 OD2 A:ASP140 2.9 10.8 0.4 CG A:ASP140 3.1 7.7 0.6 CD A:GLN54 3.1 7.8 0.5 CD A:GLU103 3.2 8.5 1.0 CD A:GLN54 3.2 10.2 0.5 OE1 A:GLN54 3.4 11.6 0.5 NE2 A:GLN54 3.5 8.3 0.5 OE1 A:GLU103 3.5 9.2 1.0 CG A:ASP140 3.6 9.3 0.4 CB A:ASP140 3.9 7.6 0.6 OE2 A:GLU58 3.9 10.1 1.0 OD1 A:ASP140 3.9 8.3 0.6 CB A:ASP140 4.0 8.3 0.4 OH A:TYR30 4.1 8.9 1.0 OE2 A:GLU136 4.1 11.1 0.7 FE A:FE2202 4.2 20.0 0.2 CE2 A:TYR30 4.3 6.9 1.0 OE1 A:GLU57 4.4 11.8 0.7 CG A:GLN54 4.4 8.1 0.5 CG A:GLU103 4.4 7.9 1.0 OD1 A:ASP140 4.5 10.8 0.4 CG A:GLN54 4.5 9.5 0.5 CZ A:TYR30 4.5 7.3 1.0 OE2 A:GLU57 4.6 12.4 0.3 CB A:GLN54 4.7 7.7 0.5 CB A:GLN54 4.7 8.5 0.5 O A:HOH663 4.9 9.7 1.0 CD A:GLU57 4.9 11.1 0.3 CD A:GLU58 4.9 9.2 1.0 CG A:GLU57 4.9 10.5 0.3 CA A:GLN54 4.9 7.8 0.5 CA A:GLN54 4.9 8.0 0.5

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