Iron in PDB 6e6s: 1.45 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) R26E/K46Y Mutant From Pseudomonas Aeruginosa

The structure of 1.45 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) R26E/K46Y Mutant From Pseudomonas Aeruginosa, PDB code: 6e6s was solved by S.Lovell, H.Wijerathne, K.P.Battaile, H.Yao, Y.Wang, M.Rivera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.56 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.186, 46.192, 48.846, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 19.2

The binding sites of Iron atom in the 1.45 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) R26E/K46Y Mutant From Pseudomonas Aeruginosa (pdb code 6e6s). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the 1.45 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) R26E/K46Y Mutant From Pseudomonas Aeruginosa, PDB code: 6e6s:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the 1.45 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) R26E/K46Y Mutant From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 1.45 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) R26E/K46Y Mutant From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:25.4 occ:1.00 FE1 A:FES101 0.0 25.4 1.0 S1 A:FES101 2.2 23.6 1.0 S2 A:FES101 2.2 23.4 1.0 SG A:CYS6 2.4 31.0 1.0 SG A:CYS38 2.4 25.9 1.0 FE2 A:FES101 2.7 21.4 1.0 CB A:CYS6 3.2 29.1 1.0 CB A:CYS38 3.5 26.5 1.0 N A:CYS38 3.7 27.2 1.0 CA A:CYS38 4.0 26.1 1.0 N A:CYS6 4.2 27.8 1.0 C A:CYS38 4.3 25.3 1.0 CA A:CYS6 4.3 28.7 1.0 C A:GLN37 4.3 29.7 1.0 O A:CYS38 4.3 25.7 1.0 SG A:CYS4 4.4 20.7 1.0 SG A:CYS41 4.6 20.5 1.0 CB A:GLN37 4.6 30.1 1.0 N A:LYS40 4.8 22.3 1.0 CA A:GLN37 4.8 30.1 1.0 N A:GLN37 4.8 30.9 1.0 CB A:LYS40 4.8 23.2 1.0 N A:GLY39 5.0 23.9 1.0

Iron binding site 2 out of 4 in the 1.45 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) R26E/K46Y Mutant From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of 1.45 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) R26E/K46Y Mutant From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:21.4 occ:1.00 FE2 A:FES101 0.0 21.4 1.0 S2 A:FES101 2.2 23.4 1.0 S1 A:FES101 2.2 23.6 1.0 SG A:CYS41 2.4 20.5 1.0 SG A:CYS4 2.4 20.7 1.0 FE1 A:FES101 2.7 25.4 1.0 CB A:CYS4 3.3 19.3 1.0 CB A:CYS41 3.3 20.5 1.0 CA A:CYS4 3.7 19.9 1.0 N A:GLY35 3.8 22.6 1.0 CA A:GLY35 3.9 25.8 1.0 CB A:CYS6 4.2 29.1 1.0 C A:CYS4 4.3 21.1 1.0 O A:HOH206 4.3 21.3 1.0 N A:CYS41 4.4 20.6 1.0 N A:CYS6 4.4 27.8 1.0 N A:LEU5 4.4 22.8 1.0 SG A:CYS6 4.4 31.0 1.0 CA A:CYS41 4.5 19.1 1.0 SG A:CYS38 4.6 25.9 1.0 C A:GLY35 4.8 28.6 1.0 CA A:CYS6 4.9 28.7 1.0 N A:CYS4 5.0 19.4 1.0 O A:CYS38 5.0 25.7 1.0

Iron binding site 3 out of 4 in the 1.45 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) R26E/K46Y Mutant From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of 1.45 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) R26E/K46Y Mutant From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:26.0 occ:1.00 FE1 B:FES101 0.0 26.0 1.0 S1 B:FES101 2.2 28.1 1.0 S2 B:FES101 2.2 24.3 1.0 SG B:CYS38 2.3 25.9 1.0 SG B:CYS6 2.4 27.7 1.0 FE2 B:FES101 2.7 24.4 1.0 CB B:CYS6 3.3 26.8 1.0 CB B:CYS38 3.5 26.5 1.0 N B:CYS38 3.6 31.6 1.0 CA B:CYS38 4.0 29.2 1.0 N B:CYS6 4.1 24.1 1.0 O B:HOH239 4.2 36.3 1.0 C B:CYS38 4.3 29.5 1.0 CA B:CYS6 4.3 26.0 1.0 O B:CYS38 4.4 30.0 1.0 SG B:CYS4 4.4 22.6 1.0 C B:GLN37 4.5 34.6 1.0 CB B:GLN37 4.5 39.7 1.0 SG B:CYS41 4.6 24.9 1.0 N B:LYS40 4.8 25.1 1.0 CA B:GLN37 4.9 37.2 1.0 CB B:LYS40 4.9 25.9 1.0 N B:GLY39 4.9 28.6 1.0 O B:HOH205 5.0 27.8 1.0

Iron binding site 4 out of 4 in the 1.45 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) R26E/K46Y Mutant From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of 1.45 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) R26E/K46Y Mutant From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:24.4 occ:1.00 FE2 B:FES101 0.0 24.4 1.0 S2 B:FES101 2.1 24.3 1.0 S1 B:FES101 2.2 28.1 1.0 SG B:CYS4 2.4 22.6 1.0 SG B:CYS41 2.4 24.9 1.0 FE1 B:FES101 2.7 26.0 1.0 CB B:CYS4 3.3 21.7 1.0 CB B:CYS41 3.4 24.1 1.0 CA B:CYS4 3.6 21.4 1.0 N B:GLY35 3.9 30.7 1.0 CA B:GLY35 4.1 33.0 1.0 C B:CYS4 4.2 21.4 1.0 CB B:CYS6 4.3 26.8 1.0 N B:LEU5 4.3 22.0 1.0 O B:HOH205 4.3 27.8 1.0 N B:CYS6 4.3 24.1 1.0 N B:CYS41 4.4 23.0 1.0 SG B:CYS6 4.5 27.7 1.0 CA B:CYS41 4.5 22.4 1.0 SG B:CYS38 4.5 25.9 1.0 N B:CYS4 4.9 21.2 1.0 CA B:CYS6 4.9 26.0 1.0

H.Wijerathne, H.Yao, Y.Wang, S.Lovell, K.P.Battaile, M.Rivera. Bfd, A New Class of [2FE-2S] Protein That Functions in Bacterial Iron Homeostasis, Requires A Structural Anion Binding Site. Biochemistry V. 57 5533 2018.
ISSN: ISSN 1520-4995
PubMed: 30183257
DOI: 10.1021/ACS.BIOCHEM.8B00823