Iron in PDB 7r1h: Crystal Structure of A Flavodiiron Protein D52K Mutant in the Reduced State From Escherichia Coli

The structure of Crystal Structure of A Flavodiiron Protein D52K Mutant in the Reduced State From Escherichia Coli, PDB code: 7r1h 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)	75.16 / 1.96
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.851, 64.787, 146.56, 90, 91.53, 90
R / Rfree (%)	20.1 / 24

The binding sites of Iron atom in the Crystal Structure of A Flavodiiron Protein D52K Mutant in the Reduced State From Escherichia Coli (pdb code 7r1h). 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 Mutant in the Reduced State From Escherichia Coli, PDB code: 7r1h:
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 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 Mutant in the Reduced State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:32.7 occ:1.00 O A:O504 2.0 46.5 1.0 NE2 A:HIS84 2.1 24.5 1.0 NE2 A:HIS227 2.1 18.9 1.0 OD1 A:ASP166 2.3 23.5 1.0 OD2 A:ASP83 2.4 33.8 1.0 O1 A:OXY505 2.7 32.8 1.0 CD2 A:HIS227 2.9 18.1 1.0 CE1 A:HIS84 2.9 25.2 1.0 CG A:ASP166 3.1 21.0 1.0 CD2 A:HIS84 3.1 24.2 1.0 OD2 A:ASP166 3.3 21.7 1.0 CE1 A:HIS227 3.3 19.9 1.0 CG A:ASP83 3.4 33.7 1.0 O2 A:OXY505 3.6 33.1 1.0 FE A:FE503 3.7 34.4 1.0 OD1 A:ASP83 3.7 35.0 1.0 ND1 A:HIS84 4.1 25.3 1.0 CG A:HIS227 4.1 17.8 1.0 CG A:HIS84 4.2 24.3 1.0 ND1 A:HIS227 4.3 19.0 1.0 OG A:SER226 4.3 22.2 1.0 CB A:ASP166 4.5 19.3 1.0 CB A:ASP83 4.7 31.0 1.0 OH A:TYR194 4.7 30.6 1.0 OE1 A:GLU81 4.8 24.7 1.0 CD2 A:HIS79 4.8 15.7 1.0 CA A:ASP166 5.0 17.4 1.0

Iron binding site 2 out of 4 in the Crystal Structure of A Flavodiiron Protein D52K 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 Mutant in the Reduced State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:34.4 occ:1.00 OD2 A:ASP166 2.0 21.7 1.0 OE1 A:GLU81 2.0 24.7 1.0 O A:O504 2.1 46.5 1.0 NE2 A:HIS147 2.2 23.8 1.0 NE2 A:HIS79 2.4 16.9 1.0 O2 A:OXY505 3.0 33.1 1.0 CE1 A:HIS147 3.0 24.0 1.0 CD2 A:HIS79 3.0 15.7 1.0 CG A:ASP166 3.2 21.0 1.0 CD A:GLU81 3.2 25.4 1.0 CD2 A:HIS147 3.4 22.9 1.0 CE1 A:HIS79 3.5 16.7 1.0 O1 A:OXY505 3.5 32.8 1.0 FE A:FE502 3.7 32.7 1.0 OD1 A:ASP166 3.8 23.5 1.0 CB A:GLU81 3.8 23.6 1.0 CG A:GLU81 4.1 24.8 1.0 OE2 A:GLU81 4.1 26.1 1.0 ND1 A:HIS147 4.2 24.1 1.0 CG A:HIS79 4.3 15.2 1.0 CB A:ASP166 4.4 19.3 1.0 CG A:HIS147 4.4 21.7 1.0 ND1 A:HIS79 4.4 16.0 1.0 NE2 A:HIS84 4.6 24.5 1.0 CD2 A:HIS84 4.6 24.2 1.0 OH A:TYR194 4.6 30.6 1.0 OD1 A:ASP83 4.7 35.0 1.0 O A:HOH639 4.8 29.4 1.0 OD2 A:ASP83 4.9 33.8 1.0

Iron binding site 3 out of 4 in the Crystal Structure of A Flavodiiron Protein D52K 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 Mutant in the Reduced State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:31.7 occ:1.00 NE2 B:HIS84 2.0 27.9 1.0 O B:O504 2.2 42.4 1.0 NE2 B:HIS227 2.2 20.7 1.0 OD1 B:ASP166 2.2 23.2 1.0 O2 B:IPA505 2.4 34.7 1.0 OD2 B:ASP83 2.4 35.8 1.0 H11 B:IPA505 2.6 40.8 1.0 HO2 B:IPA505 2.7 41.6 1.0 CE1 B:HIS84 2.8 28.5 1.0 CD2 B:HIS227 2.9 19.6 1.0 CG B:ASP166 3.1 22.1 1.0 CD2 B:HIS84 3.1 27.1 1.0 OD2 B:ASP166 3.3 22.1 1.0 C2 B:IPA505 3.4 34.0 1.0 CG B:ASP83 3.4 34.6 1.0 CE1 B:HIS227 3.4 20.6 1.0 C1 B:IPA505 3.4 34.0 1.0 FE B:FE503 3.7 33.7 1.0 OD1 B:ASP83 3.7 34.4 1.0 H31 B:IPA505 3.7 39.3 1.0 H13 B:IPA505 3.8 40.8 1.0 ND1 B:HIS84 3.9 28.0 1.0 C3 B:IPA505 4.0 32.7 1.0 CG B:HIS227 4.1 18.5 1.0 CG B:HIS84 4.1 26.8 1.0 H32 B:IPA505 4.2 39.3 1.0 OG B:SER226 4.3 18.2 1.0 H2 B:IPA505 4.3 40.8 1.0 H12 B:IPA505 4.3 40.8 1.0 ND1 B:HIS227 4.3 19.5 1.0 CB B:ASP166 4.5 20.4 1.0 CB B:ASP83 4.7 31.7 1.0 OH B:TYR194 4.7 31.4 1.0 OE1 B:GLU81 4.8 22.4 1.0 CD2 B:HIS79 4.8 20.5 1.0 CA B:ASP166 4.9 18.3 1.0

Iron binding site 4 out of 4 in the Crystal Structure of A Flavodiiron Protein D52K 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 Mutant in the Reduced State From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe503 b:33.7 occ:1.00 O B:O504 1.9 42.4 1.0 H31 B:IPA505 2.0 39.3 1.0 OE1 B:GLU81 2.1 22.4 1.0 OD2 B:ASP166 2.1 22.1 1.0 NE2 B:HIS147 2.3 26.4 1.0 NE2 B:HIS79 2.4 20.9 1.0 H32 B:IPA505 2.9 39.3 1.0 C3 B:IPA505 2.9 32.7 1.0 CD2 B:HIS79 3.0 20.5 1.0 CE1 B:HIS147 3.2 26.4 1.0 CD B:GLU81 3.3 24.1 1.0 CG B:ASP166 3.3 22.1 1.0 CD2 B:HIS147 3.4 26.0 1.0 CE1 B:HIS79 3.5 21.3 1.0 O2 B:IPA505 3.6 34.7 1.0 H33 B:IPA505 3.7 39.3 1.0 FE B:FE502 3.7 31.7 1.0 CB B:GLU81 3.8 23.6 1.0 C2 B:IPA505 3.8 34.0 1.0 OD1 B:ASP166 3.9 23.2 1.0 CG B:GLU81 4.0 24.3 1.0 H13 B:IPA505 4.1 40.8 1.0 OE2 B:GLU81 4.2 25.7 1.0 CG B:HIS79 4.3 20.1 1.0 ND1 B:HIS147 4.3 26.5 1.0 C1 B:IPA505 4.4 34.0 1.0 NE2 B:HIS84 4.5 27.9 1.0 CG B:HIS147 4.5 24.9 1.0 ND1 B:HIS79 4.5 21.7 1.0 CB B:ASP166 4.5 20.4 1.0 H11 B:IPA505 4.6 40.8 1.0 CD2 B:HIS84 4.6 27.1 1.0 HO2 B:IPA505 4.6 41.6 1.0 OD1 B:ASP83 4.6 34.4 1.0 O B:HOH690 4.7 26.9 1.0 OH B:TYR194 4.7 31.4 1.0 H2 B:IPA505 4.7 40.8 1.0 OD2 B:ASP83 4.9 35.8 1.0

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