Iron in PDB 7abw: Crystal Structure of Siderophore Reductase Foxb

The structure of Crystal Structure of Siderophore Reductase Foxb, PDB code: 7abw was solved by I.Josts, H.Tidow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.36 / 3.35
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	237.065, 114.321, 64.382, 90, 90, 90
R / Rfree (%)	26.5 / 29.9

The structure of Crystal Structure of Siderophore Reductase Foxb also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Iron atom in the Crystal Structure of Siderophore Reductase Foxb (pdb code 7abw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Siderophore Reductase Foxb, PDB code: 7abw:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Siderophore Reductase Foxb


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Siderophore Reductase Foxb within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:20.2 occ:1.00 FE A:HEM401 0.0 20.2 1.0 ND A:HEM401 1.8 31.5 1.0 NA A:HEM401 1.9 28.0 1.0 NC A:HEM401 2.0 28.6 1.0 NB A:HEM401 2.1 31.3 1.0 NE2 A:HIS198 2.2 32.5 1.0 NE2 A:HIS9 2.5 34.4 1.0 C1D A:HEM401 2.7 31.1 1.0 C4D A:HEM401 2.8 32.1 1.0 C4A A:HEM401 2.9 30.4 1.0 C1A A:HEM401 2.9 32.9 1.0 C4C A:HEM401 2.9 28.0 1.0 CE1 A:HIS198 2.9 36.1 1.0 C1B A:HEM401 3.0 32.5 1.0 C1C A:HEM401 3.1 29.5 1.0 C4B A:HEM401 3.1 34.7 1.0 CHD A:HEM401 3.2 29.7 1.0 CHA A:HEM401 3.3 35.9 1.0 CHB A:HEM401 3.4 33.1 1.0 CD2 A:HIS198 3.4 37.8 1.0 CE1 A:HIS9 3.4 35.5 1.0 CHC A:HEM401 3.5 31.0 1.0 CD2 A:HIS9 3.5 38.8 1.0 C2D A:HEM401 4.0 29.0 1.0 C3D A:HEM401 4.0 33.1 1.0 C3A A:HEM401 4.0 34.0 1.0 C2A A:HEM401 4.1 36.1 1.0 C3C A:HEM401 4.1 33.1 1.0 ND1 A:HIS198 4.1 37.1 1.0 C2C A:HEM401 4.2 29.4 1.0 C2B A:HEM401 4.3 36.8 1.0 C3B A:HEM401 4.3 31.8 1.0 CG A:HIS198 4.4 40.9 1.0 ND1 A:HIS9 4.6 33.7 1.0 CG A:HIS9 4.6 35.2 1.0 CZ2 A:TRP206 4.9 33.9 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Siderophore Reductase Foxb


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Siderophore Reductase Foxb within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:10.2 occ:1.00 FE A:HEM402 0.0 10.2 1.0 ND A:HEM402 1.9 10.4 1.0 NA A:HEM402 2.0 19.8 1.0 NE2 A:HIS136 2.1 11.8 1.0 NC A:HEM402 2.1 16.9 1.0 NE2 A:HIS339 2.1 9.4 1.0 NB A:HEM402 2.2 18.8 1.0 C4D A:HEM402 2.8 16.7 1.0 C1D A:HEM402 2.8 12.2 1.0 C1A A:HEM402 2.9 16.2 1.0 C4C A:HEM402 3.0 15.6 1.0 CD2 A:HIS339 3.0 9.0 1.0 CE1 A:HIS136 3.0 15.2 1.0 C4A A:HEM402 3.0 22.0 1.0 C1C A:HEM402 3.1 19.1 1.0 C4B A:HEM402 3.1 18.6 1.0 CD2 A:HIS136 3.2 15.1 1.0 C1B A:HEM402 3.2 18.2 1.0 CHA A:HEM402 3.2 11.3 1.0 CHD A:HEM402 3.2 14.5 1.0 CE1 A:HIS339 3.2 15.2 1.0 CHB A:HEM402 3.4 18.1 1.0 CHC A:HEM402 3.5 17.7 1.0 C2D A:HEM402 4.0 13.4 1.0 C3D A:HEM402 4.0 10.9 1.0 C2A A:HEM402 4.1 19.1 1.0 C3A A:HEM402 4.1 17.0 1.0 C3C A:HEM402 4.1 16.1 1.0 ND1 A:HIS136 4.2 16.6 1.0 C2C A:HEM402 4.2 16.2 1.0 CG A:HIS339 4.2 8.8 1.0 CG A:HIS136 4.2 16.3 1.0 ND1 A:HIS339 4.3 12.6 1.0 C3B A:HEM402 4.3 21.4 1.0 C2B A:HEM402 4.4 18.8 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Siderophore Reductase Foxb


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Siderophore Reductase Foxb within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:15.0 occ:1.00 FE B:HEM401 0.0 15.0 1.0 ND B:HEM401 1.9 24.6 1.0 NA B:HEM401 2.0 21.5 1.0 NC B:HEM401 2.1 18.8 1.0 NE2 B:HIS198 2.2 23.4 1.0 NB B:HEM401 2.2 21.1 1.0 NE2 B:HIS9 2.2 26.3 1.0 C4D B:HEM401 2.7 22.5 1.0 C1D B:HEM401 2.8 25.2 1.0 C1A B:HEM401 2.9 20.6 1.0 C4C B:HEM401 3.0 18.5 1.0 C4B B:HEM401 3.0 21.3 1.0 C4A B:HEM401 3.1 25.8 1.0 CD2 B:HIS198 3.1 25.8 1.0 C1B B:HEM401 3.1 29.8 1.0 C1C B:HEM401 3.1 24.2 1.0 CD2 B:HIS9 3.1 29.2 1.0 CE1 B:HIS9 3.2 24.7 1.0 CE1 B:HIS198 3.2 23.1 1.0 CHD B:HEM401 3.2 21.5 1.0 CHA B:HEM401 3.2 22.7 1.0 CHC B:HEM401 3.4 23.6 1.0 CHB B:HEM401 3.5 27.8 1.0 C3D B:HEM401 3.9 22.9 1.0 C2D B:HEM401 4.0 23.1 1.0 C2A B:HEM401 4.1 25.3 1.0 C3A B:HEM401 4.2 25.4 1.0 C3C B:HEM401 4.2 25.4 1.0 CG B:HIS198 4.2 24.4 1.0 C3B B:HEM401 4.2 19.7 1.0 C2C B:HEM401 4.3 25.4 1.0 ND1 B:HIS9 4.3 24.9 1.0 C2B B:HEM401 4.3 22.7 1.0 ND1 B:HIS198 4.3 24.0 1.0 CG B:HIS9 4.3 24.3 1.0 CZ2 B:TRP206 4.9 28.6 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Siderophore Reductase Foxb


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Siderophore Reductase Foxb within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe402 b:17.4 occ:1.00 FE B:HEM402 0.0 17.4 1.0 ND B:HEM402 1.8 28.9 1.0 NA B:HEM402 1.9 15.7 1.0 NC B:HEM402 2.0 23.4 1.0 NB B:HEM402 2.0 16.0 1.0 CE1 B:HIS339 2.3 20.3 1.0 NE2 B:HIS136 2.3 24.9 1.0 NE2 B:HIS339 2.5 21.8 1.0 C4D B:HEM402 2.7 26.6 1.0 C1D B:HEM402 2.8 29.2 1.0 C1A B:HEM402 2.8 18.5 1.0 C4C B:HEM402 2.9 24.6 1.0 C4A B:HEM402 2.9 19.4 1.0 C4B B:HEM402 2.9 21.6 1.0 C1B B:HEM402 3.0 18.2 1.0 C1C B:HEM402 3.0 25.0 1.0 CE1 B:HIS136 3.2 30.6 1.0 CHA B:HEM402 3.2 20.4 1.0 CHD B:HEM402 3.3 23.5 1.0 ND1 B:HIS339 3.3 19.6 1.0 CD2 B:HIS136 3.3 26.5 1.0 CHB B:HEM402 3.4 22.7 1.0 CHC B:HEM402 3.4 19.1 1.0 CD2 B:HIS339 3.7 18.6 1.0 C3D B:HEM402 4.0 26.3 1.0 C3A B:HEM402 4.0 17.0 1.0 C2A B:HEM402 4.0 14.5 1.0 C2D B:HEM402 4.0 27.9 1.0 C3C B:HEM402 4.1 20.4 1.0 CG B:HIS339 4.1 18.9 1.0 C2C B:HEM402 4.1 20.6 1.0 C3B B:HEM402 4.1 19.1 1.0 C2B B:HEM402 4.2 18.2 1.0 ND1 B:HIS136 4.3 26.4 1.0 CG B:HIS136 4.4 25.2 1.0 OG B:SER216 4.8 23.9 1.0

I.Josts, K.Veith, V.Normant, I.J.Schalk, H.Tidow. Structural Insights Into A Novel Family of Integral Membrane Siderophore Reductases. Proc.Natl.Acad.Sci.Usa V. 118 2021.
ISSN: ESSN 1091-6490
PubMed: 34417315
DOI: 10.1073/PNAS.2101952118