Iron in PDB 7r2r: Crystal Structure of A Flavodiiron Protein D52K/S262Y Mutant in the Reduced State From Escherichia Coli

The structure of Crystal Structure of A Flavodiiron Protein D52K/S262Y Mutant in the Reduced State From Escherichia Coli, PDB code: 7r2r 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)	44.78 / 2.20
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.955, 64.24, 146.85, 90, 91.38, 90
R / Rfree (%)	20.9 / 26.2

The binding sites of Iron atom in the Crystal Structure of A Flavodiiron Protein D52K/S262Y Mutant in the Reduced State From Escherichia Coli (pdb code 7r2r). 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 D52K/S262Y Mutant in the Reduced State From Escherichia Coli, PDB code: 7r2r:
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 D52K/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 D52K/S262Y Mutant in the Reduced State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:23.1 occ:1.00 O A:O504 2.1 24.1 1.0 NE2 A:HIS84 2.1 30.9 1.0 OD2 A:ASP83 2.1 32.0 1.0 NE2 A:HIS227 2.2 21.3 1.0 O2 A:OXY505 2.4 53.3 1.0 OD1 A:ASP166 2.4 19.5 1.0 CE1 A:HIS84 2.9 30.1 1.0 CD2 A:HIS227 3.0 19.6 1.0 CG A:ASP83 3.1 32.0 1.0 CD2 A:HIS84 3.1 26.6 1.0 CG A:ASP166 3.2 15.3 1.0 CE1 A:HIS227 3.3 19.9 1.0 OD2 A:ASP166 3.3 20.1 1.0 O1 A:OXY505 3.4 55.9 1.0 OD1 A:ASP83 3.5 32.2 1.0 O A:HOH603 3.5 42.2 0.7 FE A:FE503 3.6 22.1 1.0 ND1 A:HIS84 4.0 27.2 1.0 CG A:HIS84 4.2 24.0 1.0 CG A:HIS227 4.2 20.3 1.0 ND1 A:HIS227 4.3 21.0 1.0 OG A:SER226 4.4 23.7 1.0 CB A:ASP83 4.4 29.3 1.0 OH A:TYR194 4.5 49.2 1.0 OE1 A:GLU81 4.6 30.1 1.0 CB A:ASP166 4.7 14.7 1.0 CD2 A:HIS79 4.8 27.0 1.0

Iron binding site 2 out of 4 in the Crystal Structure of A Flavodiiron Protein D52K/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 D52K/S262Y Mutant in the Reduced State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:22.1 occ:1.00 OE1 A:GLU81 2.0 30.1 1.0 OD2 A:ASP166 2.0 20.1 1.0 NE2 A:HIS147 2.1 25.1 1.0 O A:O504 2.2 24.1 1.0 NE2 A:HIS79 2.4 31.4 1.0 CE1 A:HIS147 2.9 19.8 1.0 CD2 A:HIS79 3.0 27.0 1.0 CD2 A:HIS147 3.1 25.7 1.0 CD A:GLU81 3.2 25.6 1.0 CG A:ASP166 3.2 15.3 1.0 O1 A:OXY505 3.2 55.9 1.0 O A:HOH607 3.5 30.1 1.0 O2 A:OXY505 3.6 53.3 1.0 CE1 A:HIS79 3.6 31.4 1.0 FE A:FE502 3.6 23.1 1.0 OD1 A:ASP166 3.8 19.5 1.0 OE2 A:GLU81 3.9 26.7 1.0 CB A:GLU81 4.0 24.6 1.0 ND1 A:HIS147 4.1 17.7 1.0 CG A:GLU81 4.2 23.7 1.0 CG A:HIS147 4.2 22.7 1.0 CG A:HIS79 4.3 28.0 1.0 O A:HOH681 4.4 29.2 1.0 CB A:ASP166 4.4 14.7 1.0 NE2 A:HIS84 4.5 30.9 1.0 ND1 A:HIS79 4.5 32.9 1.0 CD2 A:HIS84 4.6 26.6 1.0 OD1 A:ASP83 4.6 32.2 1.0 OD2 A:ASP83 4.8 32.0 1.0 O A:HOH603 4.9 42.2 0.7 OH A:TYR194 4.9 49.2 1.0

Iron binding site 3 out of 4 in the Crystal Structure of A Flavodiiron Protein D52K/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 D52K/S262Y Mutant in the Reduced State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:22.9 occ:1.00 O B:O504 2.0 17.2 1.0 NE2 B:HIS84 2.0 31.4 1.0 NE2 B:HIS227 2.1 27.0 1.0 OD2 B:ASP83 2.2 34.0 1.0 OD1 B:ASP166 2.4 28.0 1.0 O2 B:OXY505 2.4 56.1 1.0 CE1 B:HIS84 2.8 32.7 1.0 CD2 B:HIS227 2.9 23.4 1.0 O1 B:OXY505 3.1 59.9 1.0 CD2 B:HIS84 3.2 23.9 1.0 CG B:ASP166 3.2 22.0 1.0 CG B:ASP83 3.2 34.8 1.0 CE1 B:HIS227 3.3 24.0 1.0 OD2 B:ASP166 3.3 18.8 1.0 O B:HOH611 3.6 38.3 1.0 OD1 B:ASP83 3.6 34.6 1.0 FE B:FE503 3.6 23.3 1.0 ND1 B:HIS84 4.0 27.0 1.0 CG B:HIS227 4.1 24.2 1.0 CG B:HIS84 4.2 25.5 1.0 ND1 B:HIS227 4.3 26.3 1.0 OG B:SER226 4.3 23.2 1.0 OH B:TYR194 4.5 52.6 1.0 CB B:ASP83 4.5 33.7 1.0 CB B:ASP166 4.6 19.1 1.0 OE1 B:GLU81 4.6 25.9 1.0 CD2 B:HIS79 4.8 25.1 1.0

Iron binding site 4 out of 4 in the Crystal Structure of A Flavodiiron Protein D52K/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 D52K/S262Y Mutant in the Reduced State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe503 b:23.3 occ:1.00 OE1 B:GLU81 1.9 25.9 1.0 O B:O504 2.0 17.2 1.0 OD2 B:ASP166 2.2 18.8 1.0 NE2 B:HIS147 2.2 25.7 1.0 NE2 B:HIS79 2.4 26.1 1.0 O1 B:OXY505 2.9 59.9 1.0 CE1 B:HIS147 3.0 22.1 1.0 CD2 B:HIS79 3.0 25.1 1.0 CD B:GLU81 3.1 26.4 1.0 CD2 B:HIS147 3.3 25.7 1.0 CG B:ASP166 3.3 22.0 1.0 O B:HOH602 3.5 37.1 1.0 O2 B:OXY505 3.6 56.1 1.0 CE1 B:HIS79 3.6 25.9 1.0 FE B:FE502 3.6 22.9 1.0 OD1 B:ASP166 3.9 28.0 1.0 OE2 B:GLU81 3.9 30.4 1.0 CB B:GLU81 3.9 20.2 1.0 CG B:GLU81 4.1 22.0 1.0 ND1 B:HIS147 4.2 20.6 1.0 CG B:HIS79 4.3 24.9 1.0 CG B:HIS147 4.3 21.8 1.0 NE2 B:HIS84 4.4 31.4 1.0 CD2 B:HIS84 4.5 23.9 1.0 ND1 B:HIS79 4.5 26.1 1.0 OD1 B:ASP83 4.5 34.6 1.0 CB B:ASP166 4.5 19.1 1.0 O B:HOH642 4.7 20.3 1.0 OD2 B:ASP83 4.7 34.0 1.0 O B:HOH611 4.7 38.3 1.0

P.T.Borges, M.Teixeira, C.V.Romao, C.Frazao. Crystal Structure of A Flavodiiron Protein D52K/S262Y Mutant in the Reduced State From Escherichia Coli To Be Published.