Iron in PDB 7r2s: Crystal Structure of A Flavodiiron Protein D52K Mutant From Escherichia Coli Pressurized with Krypton Gas

The structure of Crystal Structure of A Flavodiiron Protein D52K Mutant From Escherichia Coli Pressurized with Krypton Gas, PDB code: 7r2s 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)	52.34 / 2.19
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.952, 64.425, 147.08, 90, 91.46, 90
R / Rfree (%)	25.4 / 29.5

The structure of Crystal Structure of A Flavodiiron Protein D52K Mutant From Escherichia Coli Pressurized with Krypton Gas also contains other interesting chemical elements:

Krypton

(Kr)

6 atoms

The binding sites of Iron atom in the Crystal Structure of A Flavodiiron Protein D52K Mutant From Escherichia Coli Pressurized with Krypton Gas (pdb code 7r2s). 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 From Escherichia Coli Pressurized with Krypton Gas, PDB code: 7r2s:
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 From Escherichia Coli Pressurized with Krypton Gas


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 From Escherichia Coli Pressurized with Krypton Gas within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:35.6 occ:1.00 O A:O504 2.0 26.6 1.0 NE2 A:HIS84 2.1 28.8 1.0 NE2 A:HIS227 2.4 26.7 1.0 OD1 A:ASP166 2.4 24.9 1.0 OD2 A:ASP83 2.4 50.6 1.0 CE1 A:HIS84 2.8 22.1 1.0 CD2 A:HIS227 2.9 25.8 1.0 O2 A:OXY508 3.1 48.4 1.0 CD2 A:HIS84 3.2 18.9 1.0 CG A:ASP166 3.2 20.6 1.0 OD2 A:ASP166 3.3 23.4 1.0 CG A:ASP83 3.3 48.7 1.0 FE A:FE503 3.4 28.8 1.0 O1 A:OXY508 3.4 46.9 1.0 OD1 A:ASP83 3.6 52.1 1.0 CE1 A:HIS227 3.6 24.4 1.0 ND1 A:HIS84 4.0 21.9 1.0 CG A:HIS84 4.2 21.2 1.0 CG A:HIS227 4.2 20.9 1.0 OE1 A:GLU81 4.4 25.7 1.0 OG A:SER226 4.4 19.0 1.0 ND1 A:HIS227 4.5 24.3 1.0 CB A:ASP166 4.7 11.4 1.0 OH A:TYR194 4.7 41.0 1.0 CB A:ASP83 4.7 38.0 1.0 CD2 A:HIS79 4.7 27.4 1.0 CD A:GLU81 5.0 18.2 1.0

Iron binding site 2 out of 4 in the Crystal Structure of A Flavodiiron Protein D52K Mutant From Escherichia Coli Pressurized with Krypton Gas


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 From Escherichia Coli Pressurized with Krypton Gas within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:28.8 occ:1.00 OE1 A:GLU81 1.9 25.7 1.0 O A:O504 2.0 26.6 1.0 OD2 A:ASP166 2.1 23.4 1.0 NE2 A:HIS79 2.4 28.9 1.0 NE2 A:HIS147 2.4 30.7 1.0 CD2 A:HIS79 3.0 27.4 1.0 CE1 A:HIS147 3.0 24.9 1.0 CD A:GLU81 3.1 18.2 1.0 O1 A:OXY508 3.2 46.9 1.0 CG A:ASP166 3.3 20.6 1.0 FE A:FE502 3.4 35.6 1.0 CE1 A:HIS79 3.5 25.0 1.0 CD2 A:HIS147 3.6 27.9 1.0 O2 A:OXY508 3.7 48.4 1.0 OD1 A:ASP166 3.7 24.9 1.0 CB A:GLU81 3.8 25.5 1.0 OE2 A:GLU81 3.9 29.7 1.0 CG A:GLU81 4.0 25.5 1.0 CG A:HIS79 4.2 29.2 1.0 ND1 A:HIS147 4.3 22.9 1.0 NE2 A:HIS84 4.3 28.8 1.0 CD2 A:HIS84 4.3 18.9 1.0 O A:HOH643 4.5 26.8 1.0 ND1 A:HIS79 4.5 29.0 1.0 CB A:ASP166 4.5 11.4 1.0 CG A:HIS147 4.5 22.9 1.0 OD1 A:ASP83 4.6 52.1 1.0 OD2 A:ASP83 4.9 50.6 1.0

Iron binding site 3 out of 4 in the Crystal Structure of A Flavodiiron Protein D52K Mutant From Escherichia Coli Pressurized with Krypton Gas


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 From Escherichia Coli Pressurized with Krypton Gas within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:32.6 occ:1.00 O B:O504 1.9 24.7 1.0 NE2 B:HIS84 2.1 33.1 1.0 NE2 B:HIS227 2.4 32.1 1.0 OD2 B:ASP83 2.5 41.6 1.0 OD1 B:ASP166 2.5 27.4 1.0 O B:HOH727 2.7 39.2 1.0 CE1 B:HIS84 2.8 31.0 1.0 CD2 B:HIS227 2.9 26.1 1.0 CD2 B:HIS84 3.2 24.4 1.0 CG B:ASP166 3.3 28.1 1.0 CG B:ASP83 3.4 43.0 1.0 FE B:FE503 3.4 34.9 1.0 OD2 B:ASP166 3.4 23.1 1.0 OD1 B:ASP83 3.6 41.0 1.0 CE1 B:HIS227 3.7 31.8 1.0 ND1 B:HIS84 3.9 30.4 1.0 O B:HOH706 4.0 35.3 1.0 CG B:HIS84 4.1 28.6 1.0 CG B:HIS227 4.2 23.5 1.0 OG B:SER226 4.3 18.2 1.0 OE1 B:GLU81 4.3 24.3 1.0 ND1 B:HIS227 4.6 27.4 1.0 OH B:TYR194 4.6 47.4 1.0 CD2 B:HIS79 4.6 23.5 1.0 CB B:ASP166 4.7 14.1 1.0 CB B:ASP83 4.7 37.5 1.0 CD B:GLU81 4.9 17.3 1.0 NE2 B:HIS79 5.0 21.7 1.0

Iron binding site 4 out of 4 in the Crystal Structure of A Flavodiiron Protein D52K Mutant From Escherichia Coli Pressurized with Krypton Gas


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 From Escherichia Coli Pressurized with Krypton Gas within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe503 b:34.9 occ:1.00 O B:O504 1.9 24.7 1.0 OE1 B:GLU81 1.9 24.3 1.0 OD2 B:ASP166 2.2 23.1 1.0 NE2 B:HIS147 2.3 41.7 1.0 NE2 B:HIS79 2.4 21.7 1.0 CE1 B:HIS147 2.9 41.7 1.0 CD2 B:HIS79 3.0 23.5 1.0 CD B:GLU81 3.1 17.3 1.0 O B:HOH727 3.2 39.2 1.0 CG B:ASP166 3.3 28.1 1.0 FE B:FE502 3.4 32.6 1.0 CD2 B:HIS147 3.5 29.8 1.0 CE1 B:HIS79 3.5 20.1 1.0 OD1 B:ASP166 3.8 27.4 1.0 CB B:GLU81 3.8 13.3 1.0 OE2 B:GLU81 3.9 29.3 1.0 CG B:GLU81 4.0 19.3 1.0 ND1 B:HIS147 4.2 37.3 1.0 NE2 B:HIS84 4.2 33.1 1.0 CG B:HIS79 4.3 30.2 1.0 CD2 B:HIS84 4.4 24.4 1.0 CG B:HIS147 4.5 26.5 1.0 ND1 B:HIS79 4.5 29.5 1.0 CB B:ASP166 4.6 14.1 1.0 O B:HOH622 4.6 23.5 1.0 OD1 B:ASP83 4.7 41.0 1.0 O B:HOH706 4.9 35.3 1.0 OD2 B:ASP83 4.9 41.6 1.0

P.T.Borges, M.Teixeira, C.V.Romao, C.Frazao. Crystal Structure of A Flavodiiron Protein D52K Mutant From Escherichia Coli Pressurized with Krypton Gas To Be Published.