Iron in PDB 7pfj: 20 Minute FE2+ Soaked Structure of Synftn Variant E141A

All present enzymatic activity of 20 Minute FE2+ Soaked Structure of Synftn Variant E141A:
1.16.3.2;

The structure of 20 Minute FE2+ Soaked Structure of Synftn Variant E141A, PDB code: 7pfj 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)	40.53 / 1.65
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	176.67, 176.67, 176.67, 90, 90, 90
R / Rfree (%)	15 / 17.4

The structure of 20 Minute FE2+ Soaked Structure of Synftn Variant E141A also contains other interesting chemical elements:

Sodium	(Na)	2 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Iron atom in the 20 Minute FE2+ Soaked Structure of Synftn Variant E141A (pdb code 7pfj). 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 E141A, PDB code: 7pfj:
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 E141A


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 E141A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:27.9 occ:0.80 OE1 A:GLU33 2.0 30.9 1.0 OE1 A:GLU66 2.1 29.9 1.0 O A:HOH319 2.2 34.2 1.0 O A:HOH311 2.2 31.0 1.0 ND1 A:HIS69 2.2 27.9 1.0 CD A:GLU33 3.0 30.6 1.0 CD A:GLU66 3.0 28.6 1.0 CE1 A:HIS69 3.2 29.1 1.0 CG A:HIS69 3.2 26.8 1.0 OE2 A:GLU33 3.3 30.8 1.0 OE2 A:GLU66 3.4 31.4 1.0 CB A:HIS69 3.5 26.3 1.0 FE A:FE202 3.6 42.4 0.3 CG2 A:THR113 3.9 30.0 1.0 OE1 A:GLN143 4.1 29.2 1.0 NE2 A:HIS69 4.3 28.4 1.0 O A:HOH364 4.3 75.1 1.0 CG A:GLU66 4.3 26.0 1.0 CD2 A:HIS69 4.3 27.5 1.0 CG A:GLU33 4.4 28.6 1.0 CA A:GLU66 4.4 24.4 1.0 O A:HOH426 4.4 33.9 1.0 CB A:GLU66 4.6 24.8 1.0 O A:HOH388 4.7 30.4 1.0 CB A:GLU33 4.7 27.3 1.0 O A:GLU66 4.8 25.1 1.0 CD A:GLN143 5.0 27.6 1.0

Iron binding site 2 out of 3 in the 20 Minute FE2+ Soaked Structure of Synftn Variant E141A


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 E141A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:42.4 occ:0.30 OE2 A:GLU66 1.8 31.4 1.0 OE2 A:GLU110 1.9 32.2 1.0 O A:HOH319 2.0 34.2 1.0 O A:HOH364 2.2 75.1 1.0 O A:HOH388 2.3 30.4 1.0 O A:HOH315 2.7 38.3 1.0 CD A:GLU110 2.7 32.6 1.0 CD A:GLU66 2.9 28.6 1.0 OE1 A:GLU110 2.9 35.1 1.0 OE1 A:GLU66 3.3 29.9 1.0 FE A:FE201 3.6 27.9 0.8 OE1 A:GLN143 3.8 29.2 1.0 NE2 A:GLN143 4.1 27.2 1.0 CG A:GLU110 4.1 31.9 1.0 CG A:GLU66 4.2 26.0 1.0 OH A:TYR40 4.3 29.8 1.0 CE2 A:TYR40 4.4 26.9 1.0 CD A:GLN143 4.4 27.6 1.0 O A:HOH482 4.4 50.2 1.0 CG2 A:THR113 4.4 30.0 1.0 OG1 A:THR113 4.4 29.7 1.0 CB A:THR113 4.5 28.8 1.0 CA A:GLU110 4.6 27.8 1.0 O A:HOH412 4.7 43.6 1.0 CB A:GLU110 4.7 28.8 1.0 CE1 A:HIS69 4.8 29.1 1.0 ND1 A:HIS69 4.8 27.9 1.0 O A:HOH311 4.8 31.0 1.0 CZ A:TYR40 4.8 28.2 1.0 CB A:SER146 5.0 27.7 1.0

Iron binding site 3 out of 3 in the 20 Minute FE2+ Soaked Structure of Synftn Variant E141A


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 E141A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe203 b:27.8 occ:0.05 O A:HOH318 2.1 36.8 1.0 O A:HOH503 3.3 63.5 1.0 OD2 A:ASP137 4.0 29.6 1.0 CB A:ASP137 4.1 26.0 1.0 CG A:ASP137 4.4 27.2 1.0

J.M.Bradley, J.Fair, A.M.Hemmings, N.E.Le Brun. Key Carboxylate Residues For Iron Transit Through the Prokaryotic Ferritin Syn Ftn. Microbiology (Reading, V. 167 2021ENGL.).
ISSN: ESSN 1465-2080
PubMed: 34825885
DOI: 10.1099/MIC.0.001105