Iron in PDB 7r2o: Crystal Structure of A Flavodiiron Protein S262Y Mutant in the Oxidized State From Escherichia Coli

The structure of Crystal Structure of A Flavodiiron Protein S262Y Mutant in the Oxidized State From Escherichia Coli, PDB code: 7r2o was solved by P.T.Borges, M.Teixeira, C.V.Romao, C.Frazao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.67 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	169.968, 64.019, 88.882, 90, 120.42, 90
R / Rfree (%)	18.4 / 18.4

The binding sites of Iron atom in the Crystal Structure of A Flavodiiron Protein S262Y Mutant in the Oxidized State From Escherichia Coli (pdb code 7r2o). 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 A Flavodiiron Protein S262Y Mutant in the Oxidized State From Escherichia Coli, PDB code: 7r2o:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of A Flavodiiron Protein S262Y Mutant in the Oxidized State From Escherichia Coli


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 A Flavodiiron Protein S262Y Mutant in the Oxidized State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:31.8 occ:1.00 FE1 A:FEO502 0.0 31.8 1.0 O A:FEO502 1.8 38.4 1.0 NE2 A:HIS84 2.2 39.3 1.0 NE2 A:HIS227 2.3 26.5 1.0 OD2 A:ASP83 2.3 35.7 1.0 OD1 A:ASP166 2.3 29.1 1.0 CD2 A:HIS227 3.1 26.2 1.0 CD2 A:HIS84 3.1 37.3 1.0 CG A:ASP166 3.1 29.1 1.0 CE1 A:HIS84 3.2 39.2 1.0 FE2 A:FEO502 3.2 31.4 1.0 CG A:ASP83 3.2 38.2 1.0 OD2 A:ASP166 3.2 34.4 1.0 O A:HOH826 3.3 38.2 1.0 CE1 A:HIS227 3.3 26.6 1.0 OD1 A:ASP83 3.5 36.1 1.0 CG A:HIS84 4.2 38.0 1.0 OH A:TYR194 4.2 54.9 1.0 ND1 A:HIS84 4.2 39.9 1.0 CG A:HIS227 4.3 25.5 1.0 O A:HOH825 4.4 47.3 1.0 ND1 A:HIS227 4.4 26.2 1.0 OG A:SER226 4.4 21.3 1.0 CB A:ASP166 4.5 24.9 1.0 CB A:ASP83 4.6 40.7 1.0 CD2 A:HIS79 4.8 27.2 1.0 OE1 A:GLU81 4.8 44.5 1.0 CD A:GLU81 4.9 41.5 1.0

Iron binding site 2 out of 4 in the Crystal Structure of A Flavodiiron Protein S262Y Mutant in the Oxidized State From Escherichia Coli


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 A Flavodiiron Protein S262Y Mutant in the Oxidized State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:31.4 occ:1.00 FE2 A:FEO502 0.0 31.4 1.0 O A:FEO502 1.8 38.4 1.0 OD2 A:ASP166 2.0 34.4 1.0 OE1 A:GLU81 2.2 44.5 1.0 NE2 A:HIS147 2.3 35.2 1.0 NE2 A:HIS79 2.5 29.3 1.0 O A:HOH826 2.7 38.2 1.0 CD2 A:HIS79 3.1 27.2 1.0 CD A:GLU81 3.1 41.5 1.0 CG A:ASP166 3.1 29.1 1.0 CE1 A:HIS147 3.2 35.3 1.0 FE1 A:FEO502 3.2 31.8 1.0 CD2 A:HIS147 3.3 35.5 1.0 OD1 A:ASP166 3.6 29.1 1.0 CE1 A:HIS79 3.7 29.7 1.0 OE2 A:GLU81 3.7 45.4 1.0 CB A:GLU81 3.9 30.5 1.0 CG A:GLU81 4.0 33.0 1.0 CG A:HIS79 4.3 26.9 1.0 ND1 A:HIS147 4.3 35.0 1.0 OD1 A:ASP83 4.4 36.1 1.0 CB A:ASP166 4.4 24.9 1.0 CG A:HIS147 4.4 33.7 1.0 CD2 A:HIS84 4.5 37.3 1.0 NE2 A:HIS84 4.5 39.3 1.0 OD2 A:ASP83 4.6 35.7 1.0 ND1 A:HIS79 4.6 25.4 1.0 O A:HOH661 4.6 30.3 1.0 OH A:TYR194 4.9 54.9 1.0 CG A:ASP83 4.9 38.2 1.0

Iron binding site 3 out of 4 in the Crystal Structure of A Flavodiiron Protein S262Y Mutant in the Oxidized State From Escherichia Coli


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 A Flavodiiron Protein S262Y Mutant in the Oxidized State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:30.7 occ:1.00 FE1 B:FEO502 0.0 30.7 1.0 O B:FEO502 1.8 37.4 1.0 OD1 B:ASP166 2.2 37.6 1.0 NE2 B:HIS227 2.3 33.1 1.0 NE2 B:HIS84 2.3 37.1 1.0 OD2 B:ASP83 2.3 38.0 1.0 CG B:ASP166 3.0 29.6 1.0 CD2 B:HIS227 3.1 31.4 1.0 CE1 B:HIS84 3.2 37.9 1.0 CD2 B:HIS84 3.2 35.9 1.0 FE2 B:FEO502 3.2 32.1 1.0 OD2 B:ASP166 3.2 34.9 1.0 CG B:ASP83 3.3 40.2 1.0 CE1 B:HIS227 3.4 32.1 1.0 OD1 B:ASP83 3.6 37.8 1.0 ND1 B:HIS84 4.3 36.7 1.0 CG B:HIS227 4.3 28.9 1.0 CG B:HIS84 4.3 35.6 1.0 OH B:TYR194 4.4 53.5 1.0 ND1 B:HIS227 4.4 31.3 1.0 CB B:ASP166 4.4 22.3 1.0 OG B:SER226 4.4 25.1 1.0 OE1 B:GLU81 4.5 47.5 1.0 CB B:ASP83 4.6 41.5 1.0 CD2 B:HIS79 4.7 32.1 1.0 CD B:GLU81 4.9 42.2 1.0 CA B:ASP166 5.0 20.1 1.0 NE2 B:HIS79 5.0 33.4 1.0

Iron binding site 4 out of 4 in the Crystal Structure of A Flavodiiron Protein S262Y Mutant in the Oxidized State From Escherichia Coli


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 A Flavodiiron Protein S262Y Mutant in the Oxidized State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:32.1 occ:1.00 FE2 B:FEO502 0.0 32.1 1.0 O B:FEO502 1.8 37.4 1.0 OD2 B:ASP166 2.1 34.9 1.0 OE1 B:GLU81 2.1 47.5 1.0 NE2 B:HIS147 2.3 34.6 1.0 NE2 B:HIS79 2.5 33.4 1.0 CD2 B:HIS79 3.1 32.1 1.0 CG B:ASP166 3.1 29.6 1.0 CD B:GLU81 3.1 42.2 1.0 FE1 B:FEO502 3.2 30.7 1.0 CE1 B:HIS147 3.2 32.0 1.0 CD2 B:HIS147 3.3 32.9 1.0 OD1 B:ASP166 3.6 37.6 1.0 CE1 B:HIS79 3.7 34.5 1.0 OE2 B:GLU81 3.8 46.8 1.0 CB B:GLU81 3.9 27.8 1.0 CG B:GLU81 4.1 29.8 1.0 CB B:ASP166 4.3 22.3 1.0 CG B:HIS79 4.4 29.9 1.0 ND1 B:HIS147 4.4 33.7 1.0 CG B:HIS147 4.4 32.1 1.0 OD1 B:ASP83 4.5 37.8 1.0 O B:HOH689 4.5 29.9 1.0 NE2 B:HIS84 4.5 37.1 1.0 CD2 B:HIS84 4.6 35.9 1.0 ND1 B:HIS79 4.6 33.7 1.0 OD2 B:ASP83 4.6 38.0 1.0 OH B:TYR194 5.0 53.5 1.0 CG B:ASP83 5.0 40.2 1.0

P.T.Borges, M.Teixeira, C.V.Romao, C.Frazao. Crystal Structure of A Flavodiiron Protein S262Y Mutant in the Oxidized State From Escherichia Coli To Be Published.