Iron in PDB 7pfh: 2 Minute FE2+ Soak Structure of Synftn E141D

All present enzymatic activity of 2 Minute FE2+ Soak Structure of Synftn E141D:
1.16.3.2;

The structure of 2 Minute FE2+ Soak Structure of Synftn E141D, PDB code: 7pfh 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)	44.22 / 1.50
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	176.87, 176.87, 176.87, 90, 90, 90
R / Rfree (%)	15.3 / 17.1

The structure of 2 Minute FE2+ Soak Structure of Synftn E141D also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Iron atom in the 2 Minute FE2+ Soak Structure of Synftn E141D (pdb code 7pfh). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the 2 Minute FE2+ Soak Structure of Synftn E141D, PDB code: 7pfh:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the 2 Minute FE2+ Soak Structure of Synftn E141D


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 2 Minute FE2+ Soak Structure of Synftn E141D within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:27.8 occ:0.90 OE1 A:GLU33 2.0 29.3 1.0 O A:HOH322 2.1 34.8 1.0 OE1 A:GLU66 2.1 29.4 1.0 O A:HOH312 2.2 33.2 1.0 ND1 A:HIS69 2.2 28.1 1.0 CD A:GLU33 3.0 30.0 1.0 CD A:GLU66 3.0 28.3 1.0 CE1 A:HIS69 3.1 29.7 1.0 CG A:HIS69 3.2 26.8 1.0 OE2 A:GLU33 3.3 30.7 1.0 OE2 A:GLU66 3.4 31.8 1.0 FE A:FE202 3.5 44.0 0.4 CB A:HIS69 3.5 25.3 1.0 CG2 A:THR113 4.0 30.8 1.0 OE1 A:GLN143 4.1 30.4 1.0 NE2 A:HIS69 4.3 29.9 1.0 CD2 A:HIS69 4.3 27.7 1.0 CG A:GLU66 4.3 25.5 1.0 CG A:GLU33 4.4 29.1 1.0 CA A:GLU66 4.4 22.9 1.0 O A:HOH384 4.4 34.4 1.0 CB A:GLU66 4.6 24.1 1.0 O A:HOH406 4.6 33.3 1.0 CB A:GLU33 4.7 26.4 1.0 O A:GLU66 4.8 23.4 1.0 OE2 A:GLU110 5.0 34.5 1.0 CD A:GLN143 5.0 28.9 1.0

Iron binding site 2 out of 3 in the 2 Minute FE2+ Soak Structure of Synftn E141D


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 2 Minute FE2+ Soak Structure of Synftn E141D within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:44.0 occ:0.40 OE2 A:GLU66 1.8 31.8 1.0 O A:HOH322 1.9 34.8 1.0 OE2 A:GLU110 2.0 34.5 1.0 O A:HOH406 2.4 33.3 1.0 O A:HOH309 2.5 42.4 1.0 CD A:GLU110 2.7 35.0 1.0 OE1 A:GLU110 2.8 38.8 1.0 CD A:GLU66 2.9 28.3 1.0 OE1 A:GLU66 3.3 29.4 1.0 FE A:FE201 3.5 27.8 0.9 OE1 A:GLN143 3.7 30.4 1.0 NE2 A:GLN143 4.1 27.6 1.0 CG A:GLU110 4.1 33.4 1.0 CG A:GLU66 4.2 25.5 1.0 OG A:SER146 4.2 26.0 0.3 O A:HOH468 4.3 47.5 1.0 CD A:GLN143 4.4 28.9 1.0 OH A:TYR40 4.4 29.8 1.0 O A:HOH396 4.4 43.2 1.0 CE2 A:TYR40 4.4 26.4 1.0 CG2 A:THR113 4.5 30.8 1.0 CE1 A:HIS69 4.6 29.7 1.0 OG1 A:THR113 4.6 30.2 1.0 ND1 A:HIS69 4.6 28.1 1.0 CB A:THR113 4.7 29.5 1.0 O A:HOH312 4.7 33.2 1.0 CA A:GLU110 4.8 28.8 1.0 CB A:GLU110 4.9 30.4 1.0 CZ A:TYR40 4.9 28.0 1.0 CB A:SER146 5.0 25.2 0.3 CB A:SER146 5.0 25.6 0.7 OG A:SER146 5.0 27.1 0.7

Iron binding site 3 out of 3 in the 2 Minute FE2+ Soak Structure of Synftn E141D


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of 2 Minute FE2+ Soak Structure of Synftn E141D within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe203 b:62.0 occ:0.15 O A:HOH315 2.1 36.3 1.0 O A:HOH481 2.5 60.1 1.0 O A:HOH437 3.4 60.5 1.0 O A:HOH489 4.0 59.2 1.0 OD2 A:ASP137 4.0 30.7 1.0 CB A:ASP137 4.1 26.9 1.0 CG A:ASP137 4.4 29.5 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