Iron in PDB 7r2p: Crystal Structure of A Flavodiiron Protein D52K/S262Y Mutant in the Oxidized State From Escherichia Coli

The structure of Crystal Structure of A Flavodiiron Protein D52K/S262Y Mutant in the Oxidized State From Escherichia Coli, PDB code: 7r2p 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)	75.30 / 2.54
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.926, 64.812, 147.01, 90, 91.6, 90
R / Rfree (%)	22 / 23.7

The binding sites of Iron atom in the Crystal Structure of A Flavodiiron Protein D52K/S262Y Mutant in the Oxidized State From Escherichia Coli (pdb code 7r2p). 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 Oxidized State From Escherichia Coli, PDB code: 7r2p:
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 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 D52K/S262Y Mutant in the Oxidized State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:38.3 occ:1.00 O A:O506 1.8 48.0 0.9 NE2 A:HIS84 2.1 33.1 1.0 OD1 A:ASP166 2.3 19.4 1.0 NE2 A:HIS227 2.4 28.2 1.0 OD2 A:ASP83 2.5 52.4 1.0 O1 A:OXY505 2.8 36.9 1.0 CE1 A:HIS84 3.0 33.5 1.0 CD2 A:HIS227 3.0 26.6 1.0 CG A:ASP166 3.1 19.6 1.0 CD2 A:HIS84 3.2 32.5 1.0 OD2 A:ASP166 3.3 20.7 1.0 FE A:FE503 3.4 27.7 1.0 CG A:ASP83 3.5 52.0 1.0 O2 A:OXY505 3.5 38.4 1.0 CE1 A:HIS227 3.5 28.7 1.0 OD1 A:ASP83 3.7 51.2 1.0 ND1 A:HIS84 4.1 32.7 1.0 OH A:TYR194 4.2 46.9 1.0 OG A:SER226 4.3 24.0 1.0 CG A:HIS84 4.3 32.2 1.0 CG A:HIS227 4.3 27.0 1.0 OE1 A:GLU81 4.4 35.2 1.0 ND1 A:HIS227 4.5 28.6 1.0 CB A:ASP166 4.5 20.5 1.0 CD2 A:HIS79 4.7 28.9 1.0 CB A:ASP83 4.8 52.2 1.0 OD1 A:ASN165 4.9 40.0 1.0 CA A:ASP166 5.0 24.4 1.0

Iron binding site 2 out of 4 in the Crystal Structure of A Flavodiiron Protein D52K/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 D52K/S262Y Mutant in the Oxidized State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:27.7 occ:1.00 OE1 A:GLU81 2.0 35.2 1.0 O A:O506 2.0 48.0 0.9 OD2 A:ASP166 2.2 20.7 1.0 NE2 A:HIS147 2.4 25.5 1.0 NE2 A:HIS79 2.5 28.7 1.0 CD2 A:HIS79 3.0 28.9 1.0 O2 A:OXY505 3.1 38.4 1.0 CE1 A:HIS147 3.1 25.1 1.0 CD A:GLU81 3.2 33.3 1.0 CG A:ASP166 3.2 19.6 1.0 FE A:FE502 3.4 38.3 1.0 CD2 A:HIS147 3.4 26.1 1.0 O1 A:OXY505 3.6 36.9 1.0 CE1 A:HIS79 3.7 29.5 1.0 OD1 A:ASP166 3.7 19.4 1.0 OE2 A:GLU81 3.9 34.1 1.0 CB A:GLU81 4.0 34.0 1.0 CG A:GLU81 4.1 33.0 1.0 CG A:HIS79 4.3 28.9 1.0 ND1 A:HIS147 4.3 24.6 1.0 NE2 A:HIS84 4.4 33.1 1.0 CG A:HIS147 4.5 26.4 1.0 CD2 A:HIS84 4.5 32.5 1.0 CB A:ASP166 4.5 20.5 1.0 ND1 A:HIS79 4.5 29.4 1.0 OD1 A:ASP83 4.6 51.2 1.0 OD2 A:ASP83 4.9 52.4 1.0 OH A:TYR194 4.9 46.9 1.0

Iron binding site 3 out of 4 in the Crystal Structure of A Flavodiiron Protein D52K/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 D52K/S262Y Mutant in the Oxidized State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:42.3 occ:1.00 O B:O505 1.7 41.4 1.0 NE2 B:HIS84 2.2 37.4 1.0 OD1 B:ASP166 2.3 22.5 1.0 NE2 B:HIS227 2.4 33.6 1.0 OD2 B:ASP83 2.6 47.6 1.0 O2 B:OXY504 2.9 33.9 1.0 CE1 B:HIS84 2.9 38.2 1.0 CD2 B:HIS227 3.1 32.5 1.0 CG B:ASP166 3.1 24.2 1.0 CD2 B:HIS84 3.3 36.6 1.0 OD2 B:ASP166 3.3 26.5 1.0 FE B:FE503 3.4 31.2 1.0 O1 B:OXY504 3.5 39.2 1.0 CG B:ASP83 3.6 46.1 1.0 CE1 B:HIS227 3.6 33.9 1.0 OD1 B:ASP83 3.8 45.3 1.0 OH B:TYR194 4.1 47.3 1.0 ND1 B:HIS84 4.1 37.3 1.0 CG B:HIS84 4.3 36.6 1.0 CG B:HIS227 4.3 32.4 1.0 OE1 B:GLU81 4.3 34.9 1.0 OG B:SER226 4.4 31.2 1.0 CB B:ASP166 4.5 25.5 1.0 ND1 B:HIS227 4.5 32.9 1.0 CD2 B:HIS79 4.7 29.5 1.0 CB B:ASP83 4.9 45.0 1.0 CD B:GLU81 5.0 32.8 1.0

Iron binding site 4 out of 4 in the Crystal Structure of A Flavodiiron Protein D52K/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 D52K/S262Y Mutant in the Oxidized State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe503 b:31.2 occ:1.00 OE1 B:GLU81 2.0 34.9 1.0 O B:O505 2.0 41.4 1.0 OD2 B:ASP166 2.1 26.5 1.0 NE2 B:HIS147 2.3 32.7 1.0 NE2 B:HIS79 2.5 30.1 1.0 O1 B:OXY504 3.0 39.2 1.0 CD2 B:HIS79 3.0 29.5 1.0 CE1 B:HIS147 3.1 33.0 1.0 CD B:GLU81 3.2 32.8 1.0 CG B:ASP166 3.2 24.2 1.0 FE B:FE502 3.4 42.3 1.0 CD2 B:HIS147 3.4 32.6 1.0 O2 B:OXY504 3.6 33.9 1.0 OD1 B:ASP166 3.7 22.5 1.0 CE1 B:HIS79 3.7 28.9 1.0 OE2 B:GLU81 3.9 32.5 1.0 CB B:GLU81 4.0 33.4 1.0 CG B:GLU81 4.2 33.1 1.0 NE2 B:HIS84 4.3 37.4 1.0 CG B:HIS79 4.3 28.1 1.0 ND1 B:HIS147 4.3 33.4 1.0 CD2 B:HIS84 4.4 36.6 1.0 CG B:HIS147 4.4 33.3 1.0 CB B:ASP166 4.5 25.5 1.0 ND1 B:HIS79 4.5 28.1 1.0 OD1 B:ASP83 4.6 45.3 1.0 OH B:TYR194 4.8 47.3 1.0 OD2 B:ASP83 4.8 47.6 1.0

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