Iron in PDB 6sor: 20 Minute FE2+ Soaked Structure of Synftn Variant E62A

All present enzymatic activity of 20 Minute FE2+ Soaked Structure of Synftn Variant E62A:
1.16.3.2;

The structure of 20 Minute FE2+ Soaked Structure of Synftn Variant E62A, PDB code: 6sor was solved by A.M.Hemmings, J.M.Bradley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.48 / 1.74
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	176.450, 176.450, 176.450, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 18.8

The structure of 20 Minute FE2+ Soaked Structure of Synftn Variant E62A also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the 20 Minute FE2+ Soaked Structure of Synftn Variant E62A (pdb code 6sor). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the 20 Minute FE2+ Soaked Structure of Synftn Variant E62A, PDB code: 6sor:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the 20 Minute FE2+ Soaked Structure of Synftn Variant E62A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 20 Minute FE2+ Soaked Structure of Synftn Variant E62A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:32.3 occ:0.92 O A:HOH332 1.9 36.1 1.0 OE1 A:GLU33 2.0 31.2 1.0 OE1 A:GLU66 2.1 31.9 1.0 ND1 A:HIS69 2.2 33.6 1.0 O A:HOH311 2.3 42.2 1.0 CD A:GLU33 3.0 32.2 1.0 CD A:GLU66 3.0 31.4 1.0 CE1 A:HIS69 3.2 34.8 1.0 CG A:HIS69 3.3 32.6 1.0 OE2 A:GLU33 3.3 32.0 1.0 OE2 A:GLU66 3.3 31.6 1.0 FE A:FE202 3.3 33.3 0.9 CB A:HIS69 3.6 30.6 1.0 O A:HOH363 3.7 33.8 1.0 CG2 A:THR113 4.1 30.1 1.0 OE1 A:GLN143 4.2 31.1 1.0 NE2 A:HIS69 4.3 35.1 1.0 CG A:GLU66 4.4 29.3 1.0 CG A:GLU33 4.4 30.7 1.0 O A:HOH394 4.4 36.9 1.0 CD2 A:HIS69 4.4 34.1 1.0 CA A:GLU66 4.4 27.0 1.0 CB A:GLU66 4.6 27.6 1.0 CB A:GLU33 4.7 28.5 1.0 O A:HOH407 4.7 35.3 1.0 O A:GLU66 4.8 28.2 1.0 O A:HOH315 4.9 52.5 1.0

Iron binding site 2 out of 3 in the 20 Minute FE2+ Soaked Structure of Synftn Variant E62A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 20 Minute FE2+ Soaked Structure of Synftn Variant E62A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:33.3 occ:0.88 O A:HOH332 2.0 36.1 1.0 OE2 A:GLU66 2.1 31.6 1.0 OE1 A:GLU110 2.1 33.6 1.0 O A:HOH394 2.2 36.9 1.0 OE2 A:GLU110 2.3 34.4 1.0 O A:HOH363 2.3 33.8 1.0 CD A:GLU110 2.5 33.0 1.0 CD A:GLU66 2.9 31.4 1.0 OE1 A:GLU66 3.2 31.9 1.0 FE A:FE201 3.3 32.3 0.9 OE1 A:GLN143 3.9 31.1 1.0 OG A:SER146 4.0 26.8 0.5 CG A:GLU110 4.0 32.2 1.0 O A:HOH364 4.0 46.3 1.0 CG A:GLU66 4.3 29.3 1.0 O A:HOH315 4.3 52.5 1.0 NE2 A:GLN143 4.4 30.1 1.0 CE1 A:HIS69 4.4 34.8 1.0 OH A:TYR40 4.4 34.0 1.0 ND1 A:HIS69 4.5 33.6 1.0 CE2 A:TYR40 4.5 27.5 1.0 CD A:GLN143 4.6 30.6 1.0 OG1 A:THR113 4.6 33.0 1.0 OG A:SER146 4.7 27.6 0.5 CG2 A:THR113 4.8 30.1 1.0 CB A:SER146 4.8 26.6 0.5 CB A:SER146 4.8 27.4 0.5 O A:HOH311 4.8 42.2 1.0 CB A:GLU110 4.9 31.4 1.0 CB A:THR113 4.9 31.2 1.0 CA A:GLU110 4.9 29.9 1.0 CZ A:TYR40 5.0 30.2 1.0

Iron binding site 3 out of 3 in the 20 Minute FE2+ Soaked Structure of Synftn Variant E62A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of 20 Minute FE2+ Soaked Structure of Synftn Variant E62A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe203 b:30.2 occ:0.33 O A:HOH328 2.1 30.4 1.0 O A:HOH470 2.2 27.3 1.0 O A:HOH339 3.9 29.0 1.0 OD2 A:ASP137 4.1 31.0 1.0 CB A:ASP137 4.1 28.8 1.0 CG A:ASP137 4.4 30.2 1.0

J.M.Bradley, J.Pullin, G.R.Moore, D.A.Svistunenko, A.M.Hemmings, N.E.Le Brun. Routes of Iron Entry Into, and Exit From, the Catalytic Ferroxidase Sites of the Prokaryotic Ferritin Synftn. Dalton Trans 2020.
ISSN: ESSN 1477-9234
PubMed: 31930254
DOI: 10.1039/C9DT03570B