Iron in PDB 6e6q: 1.20 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) From Pseudomonas Aeruginosa

The structure of 1.20 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) From Pseudomonas Aeruginosa, PDB code: 6e6q 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)	39.61 / 1.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	23.946, 49.710, 39.895, 90.00, 96.85, 90.00
R / Rfree (%)	12.1 / 14.8

The binding sites of Iron atom in the 1.20 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) From Pseudomonas Aeruginosa (pdb code 6e6q). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the 1.20 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) From Pseudomonas Aeruginosa, PDB code: 6e6q:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the 1.20 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) 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 1.20 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:11.2 occ:1.00 FE1 A:FES101 0.0 11.2 1.0 S2 A:FES101 2.2 11.4 1.0 S1 A:FES101 2.3 10.8 1.0 SG A:CYS38 2.3 12.3 1.0 SG A:CYS6 2.3 12.5 1.0 FE2 A:FES101 2.7 10.0 1.0 CB A:CYS6 3.3 10.8 1.0 CB A:CYS38 3.5 12.3 1.0 N A:CYS38 3.6 11.8 1.0 CA A:CYS38 3.9 12.5 1.0 N A:GLY39 4.0 12.6 1.0 N A:CYS6 4.2 10.5 1.0 CA A:CYS6 4.3 11.3 1.0 C A:CYS38 4.3 12.6 1.0 SG A:CYS4 4.4 9.8 1.0 N A:LYS40 4.4 12.4 1.0 CB A:GLN37 4.6 11.5 1.0 SG A:CYS41 4.7 10.4 1.0 C A:GLN37 4.7 11.9 1.0

Iron binding site 2 out of 4 in the 1.20 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) 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 1.20 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:10.0 occ:1.00 FE2 A:FES101 0.0 10.0 1.0 S1 A:FES101 2.2 10.8 1.0 S2 A:FES101 2.2 11.4 1.0 SG A:CYS41 2.3 10.4 1.0 SG A:CYS4 2.3 9.8 1.0 FE1 A:FES101 2.7 11.2 1.0 CB A:CYS4 3.2 9.4 1.0 CB A:CYS41 3.3 10.3 1.0 CA A:CYS4 3.6 9.8 1.0 N A:GLY35 3.8 10.5 1.0 CA A:GLY35 4.0 11.9 1.0 N A:CYS41 4.2 11.3 1.0 C A:CYS4 4.3 11.2 1.0 CB A:CYS6 4.3 10.8 1.0 CA A:CYS41 4.4 10.2 1.0 N A:CYS6 4.4 10.5 1.0 N A:LEU5 4.5 11.6 1.0 SG A:CYS6 4.5 12.5 1.0 SG A:CYS38 4.6 12.3 1.0 C A:GLY35 4.8 12.5 1.0 O A:VAL3 4.8 11.4 1.0 N A:CYS4 4.8 9.8 1.0 N A:LYS40 4.9 12.4 1.0 CA A:CYS6 5.0 11.3 1.0 N A:GLY39 5.0 12.6 1.0 O A:CYS4 5.0 11.9 1.0

Iron binding site 3 out of 4 in the 1.20 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) 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 1.20 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:11.6 occ:1.00 FE1 B:FES101 0.0 11.6 1.0 S2 B:FES101 2.2 11.4 1.0 S1 B:FES101 2.3 10.8 1.0 SG B:CYS38 2.3 14.0 1.0 SG B:CYS6 2.3 12.2 1.0 FE2 B:FES101 2.7 10.1 1.0 CB B:CYS6 3.3 11.7 1.0 CB B:CYS38 3.4 14.8 1.0 N B:CYS38 3.5 13.3 1.0 CA B:CYS38 3.9 14.5 1.0 N B:GLY39 3.9 15.1 1.0 N B:CYS6 4.0 11.1 1.0 CA B:CYS6 4.3 11.3 1.0 C B:CYS38 4.3 14.7 1.0 N B:LYS40 4.4 15.9 1.0 SG B:CYS4 4.4 10.1 1.0 CB B:GLN37 4.5 12.4 1.0 SG B:CYS41 4.7 10.8 1.0 C B:GLN37 4.7 13.5 1.0 CA B:GLY39 4.9 15.9 1.0 CA B:GLN37 5.0 12.2 1.0

Iron binding site 4 out of 4 in the 1.20 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) 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 1.20 A Resolution Structure of the C-Terminally Truncated [2FE-2S] Ferredoxin (Bfd) From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:10.1 occ:1.00 FE2 B:FES101 0.0 10.1 1.0 S2 B:FES101 2.2 11.4 1.0 S1 B:FES101 2.2 10.8 1.0 SG B:CYS41 2.3 10.8 1.0 SG B:CYS4 2.3 10.1 1.0 FE1 B:FES101 2.7 11.6 1.0 CB B:CYS4 3.3 10.2 1.0 CB B:CYS41 3.4 11.1 1.0 CA B:CYS4 3.5 10.0 1.0 N B:GLY35 3.8 10.1 1.0 CA B:GLY35 4.0 10.5 1.0 C B:CYS4 4.2 10.5 1.0 N B:CYS41 4.2 13.1 1.0 N B:LEU5 4.3 11.2 1.0 N B:CYS6 4.4 11.1 1.0 CB B:CYS6 4.4 11.7 1.0 CA B:CYS41 4.4 12.4 1.0 SG B:CYS6 4.5 12.2 1.0 SG B:CYS38 4.6 14.0 1.0 N B:CYS4 4.8 10.2 1.0 O B:VAL3 4.9 12.2 1.0 C B:GLY35 4.9 11.8 1.0 N B:LYS40 4.9 15.9 1.0 N B:GLY39 4.9 15.1 1.0 CA B:CYS6 5.0 11.3 1.0 O B:HOH238 5.0 23.4 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