Iron in PDB 7r1j: Crystal Structure of A Flavodiiron Protein S262Y Mutant in the Reduced State From Escherichia Coli

The structure of Crystal Structure of A Flavodiiron Protein S262Y Mutant in the Reduced State From Escherichia Coli, PDB code: 7r1j 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)	75.57 / 1.90
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.972, 64.383, 146.82, 90, 91.24, 90
R / Rfree (%)	19.6 / 22.4

The binding sites of Iron atom in the Crystal Structure of A Flavodiiron Protein S262Y Mutant in the Reduced State From Escherichia Coli (pdb code 7r1j). 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 Reduced State From Escherichia Coli, PDB code: 7r1j:
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 Reduced 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 Reduced State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:31.4 occ:1.00 O A:O504 1.8 13.6 0.4 NE2 A:HIS84 2.1 37.0 1.0 NE2 A:HIS227 2.3 11.7 1.0 OD1 A:ASP166 2.3 22.4 1.0 OD2 A:ASP83 2.4 37.1 1.0 O1 A:OXY505 2.6 58.1 1.0 CE1 A:HIS84 2.8 37.3 1.0 CD2 A:HIS227 2.9 10.3 1.0 O A:HOH631 3.1 45.5 1.0 CD2 A:HIS84 3.2 33.5 1.0 CG A:ASP166 3.2 19.8 1.0 CG A:ASP83 3.3 40.7 1.0 OD2 A:ASP166 3.4 16.8 1.0 CE1 A:HIS227 3.5 13.0 1.0 OD1 A:ASP83 3.6 41.1 1.0 O2 A:OXY505 3.6 54.5 1.0 FE A:FE503 3.7 27.1 1.0 ND1 A:HIS84 3.9 35.0 1.0 CG A:HIS84 4.1 34.9 1.0 CG A:HIS227 4.2 13.1 1.0 OG A:SER226 4.2 19.2 1.0 OE1 A:GLU81 4.4 45.7 1.0 ND1 A:HIS227 4.4 13.7 1.0 CB A:ASP166 4.5 16.5 1.0 OH A:TYR194 4.6 33.1 1.0 CB A:ASP83 4.7 40.0 1.0 O A:HOH708 4.8 34.6 1.0 CD A:GLU81 4.9 42.6 1.0 CD2 A:HIS79 5.0 22.1 1.0

Iron binding site 2 out of 4 in the Crystal Structure of A Flavodiiron Protein S262Y Mutant in the Reduced 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 Reduced State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:27.1 occ:1.00 OE1 A:GLU81 1.7 45.7 1.0 OD2 A:ASP166 2.1 16.8 1.0 O A:O504 2.2 13.6 0.4 NE2 A:HIS79 2.4 25.6 1.0 NE2 A:HIS147 2.5 39.4 1.0 CE1 A:HIS147 2.9 39.7 1.0 CD A:GLU81 2.9 42.6 1.0 CD2 A:HIS79 3.1 22.1 1.0 O2 A:OXY505 3.3 54.5 1.0 CG A:ASP166 3.3 19.8 1.0 O1 A:OXY505 3.5 58.1 1.0 CE1 A:HIS79 3.6 27.2 1.0 OE2 A:GLU81 3.6 46.0 1.0 FE A:FE502 3.7 31.4 1.0 CD2 A:HIS147 3.7 38.4 1.0 OD1 A:ASP166 3.8 22.4 1.0 CB A:GLU81 3.9 36.9 1.0 CG A:GLU81 4.0 37.5 1.0 ND1 A:HIS147 4.1 39.0 1.0 CG A:HIS79 4.3 17.8 1.0 NE2 A:HIS84 4.4 37.0 1.0 CD2 A:HIS84 4.4 33.5 1.0 CB A:ASP166 4.5 16.5 1.0 CG A:HIS147 4.5 36.5 1.0 OD1 A:ASP83 4.5 41.1 1.0 ND1 A:HIS79 4.6 20.3 1.0 O A:HOH724 4.6 21.4 1.0 O A:HOH631 4.6 45.5 1.0 OD2 A:ASP83 5.0 37.1 1.0 OH A:TYR194 5.0 33.1 1.0

Iron binding site 3 out of 4 in the Crystal Structure of A Flavodiiron Protein S262Y Mutant in the Reduced 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 Reduced State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:31.8 occ:1.00 O B:O504 1.8 28.1 0.5 NE2 B:HIS84 2.1 41.8 1.0 NE2 B:HIS227 2.2 17.0 1.0 OD1 B:ASP166 2.4 24.9 1.0 OD2 B:ASP83 2.4 37.9 1.0 CE1 B:HIS84 2.8 44.8 1.0 O2 B:OXY505 2.9 52.5 1.0 CD2 B:HIS227 3.0 16.6 1.0 CG B:ASP166 3.2 20.4 1.0 CD2 B:HIS84 3.3 40.6 1.0 OD2 B:ASP166 3.3 18.9 1.0 CE1 B:HIS227 3.3 17.3 1.0 CG B:ASP83 3.3 39.1 1.0 O1 B:OXY505 3.4 58.0 1.0 OD1 B:ASP83 3.6 35.2 1.0 FE B:FE503 3.6 28.7 1.0 ND1 B:HIS84 3.9 44.7 1.0 CG B:HIS227 4.2 17.1 1.0 OG B:SER226 4.2 16.7 1.0 CG B:HIS84 4.2 43.1 1.0 OE1 B:GLU81 4.3 42.2 1.0 ND1 B:HIS227 4.3 19.4 1.0 OH B:TYR194 4.5 30.4 1.0 CB B:ASP166 4.6 16.7 1.0 CB B:ASP83 4.7 41.6 1.0 O B:HOH602 4.8 47.0 0.8 CD B:GLU81 4.9 39.0 1.0 CD2 B:HIS79 5.0 22.5 1.0

Iron binding site 4 out of 4 in the Crystal Structure of A Flavodiiron Protein S262Y Mutant in the Reduced 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 Reduced State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe503 b:28.7 occ:1.00 OE1 B:GLU81 1.8 42.2 1.0 OD2 B:ASP166 2.1 18.9 1.0 O B:O504 2.4 28.1 0.5 NE2 B:HIS147 2.4 39.3 1.0 NE2 B:HIS79 2.5 27.3 1.0 CE1 B:HIS147 2.9 38.7 1.0 CD B:GLU81 2.9 39.0 1.0 CD2 B:HIS79 3.1 22.5 1.0 O B:HOH602 3.1 47.0 0.8 O2 B:OXY505 3.2 52.5 1.0 O1 B:OXY505 3.2 58.0 1.0 CG B:ASP166 3.3 20.4 1.0 FE B:FE502 3.6 31.8 1.0 CD2 B:HIS147 3.6 36.7 1.0 OE2 B:GLU81 3.6 37.7 1.0 CE1 B:HIS79 3.7 26.9 1.0 OD1 B:ASP166 3.8 24.9 1.0 CB B:GLU81 4.0 37.2 1.0 CG B:GLU81 4.0 37.7 1.0 ND1 B:HIS147 4.1 37.6 1.0 NE2 B:HIS84 4.3 41.8 1.0 CG B:HIS79 4.4 20.2 1.0 CD2 B:HIS84 4.4 40.6 1.0 CB B:ASP166 4.5 16.7 1.0 CG B:HIS147 4.5 35.2 1.0 O B:HOH679 4.6 28.4 1.0 ND1 B:HIS79 4.6 22.9 1.0 OD1 B:ASP83 4.6 35.2 1.0 OH B:TYR194 4.9 30.4 1.0

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