Iron in PDB 2nyb: Crystal Structure of E.Coli Iron Superoxide Dismutase Q69E at 1.1 Angstrom Resolution

All present enzymatic activity of Crystal Structure of E.Coli Iron Superoxide Dismutase Q69E at 1.1 Angstrom Resolution:
1.15.1.1;

The structure of Crystal Structure of E.Coli Iron Superoxide Dismutase Q69E at 1.1 Angstrom Resolution, PDB code: 2nyb was solved by J.C.Porta, A.Vahedi-Faridi, G.E.O.Borgstahl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.29 / 1.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.508, 107.596, 84.120, 90.00, 94.89, 90.00
R / Rfree (%)	16 / 17.4

The binding sites of Iron atom in the Crystal Structure of E.Coli Iron Superoxide Dismutase Q69E at 1.1 Angstrom Resolution (pdb code 2nyb). 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 E.Coli Iron Superoxide Dismutase Q69E at 1.1 Angstrom Resolution, PDB code: 2nyb:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of E.Coli Iron Superoxide Dismutase Q69E at 1.1 Angstrom Resolution


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 E.Coli Iron Superoxide Dismutase Q69E at 1.1 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe193 b:6.8 occ:1.00 OD2 A:ASP156 2.0 7.6 1.0 NE2 A:HIS160 2.1 6.5 1.0 NE2 A:HIS73 2.1 7.8 1.0 O A:O194 2.2 8.2 1.0 NE2 A:HIS26 2.2 7.2 1.0 CG A:ASP156 3.0 6.8 1.0 CE1 A:HIS73 3.1 8.1 1.0 CD2 A:HIS73 3.1 7.5 1.0 CE1 A:HIS160 3.1 6.8 1.0 CD2 A:HIS160 3.1 6.5 1.0 CE1 A:HIS26 3.1 6.9 1.0 CD2 A:HIS26 3.2 6.5 1.0 OD1 A:ASP156 3.5 7.4 1.0 ND1 A:HIS73 4.2 7.4 1.0 ND1 A:HIS160 4.2 6.8 1.0 CG A:HIS73 4.2 7.2 1.0 CZ2 A:TRP122 4.2 8.5 1.0 CG A:HIS160 4.2 6.9 1.0 ND1 A:HIS26 4.2 6.4 1.0 CB A:ASP156 4.3 7.5 1.0 CG A:HIS26 4.3 6.6 1.0 CH2 A:TRP122 4.4 8.7 1.0 CB A:TRP158 4.5 7.0 1.0 OE2 A:GLU69 4.5 8.8 1.0 CG A:TRP158 4.6 7.1 1.0 CD1 A:TRP158 4.8 7.7 1.0

Iron binding site 2 out of 4 in the Crystal Structure of E.Coli Iron Superoxide Dismutase Q69E at 1.1 Angstrom Resolution


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 E.Coli Iron Superoxide Dismutase Q69E at 1.1 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe193 b:7.2 occ:1.00 OD2 B:ASP156 2.0 7.8 1.0 NE2 B:HIS73 2.1 7.8 1.0 NE2 B:HIS160 2.1 7.7 1.0 O B:O194 2.2 8.6 1.0 NE2 B:HIS26 2.2 7.6 1.0 CG B:ASP156 3.0 6.7 1.0 CD2 B:HIS73 3.1 7.4 1.0 CE1 B:HIS73 3.1 7.8 1.0 CD2 B:HIS160 3.1 7.1 1.0 CE1 B:HIS160 3.1 8.0 1.0 CE1 B:HIS26 3.1 7.3 1.0 CD2 B:HIS26 3.2 7.5 1.0 OD1 B:ASP156 3.5 7.5 1.0 ND1 B:HIS73 4.2 7.8 1.0 CG B:HIS73 4.2 7.5 1.0 CZ2 B:TRP122 4.2 8.7 1.0 ND1 B:HIS160 4.2 7.9 1.0 ND1 B:HIS26 4.3 7.3 1.0 CG B:HIS160 4.3 7.6 1.0 CB B:ASP156 4.3 7.4 1.0 CG B:HIS26 4.3 7.6 1.0 CH2 B:TRP122 4.4 8.7 1.0 CB B:TRP158 4.5 7.8 1.0 OE2 B:GLU69 4.5 9.8 1.0 CG B:TRP158 4.6 7.2 1.0 CD1 B:TRP158 4.8 8.1 1.0 CB B:ALA161 5.0 7.4 1.0

Iron binding site 3 out of 4 in the Crystal Structure of E.Coli Iron Superoxide Dismutase Q69E at 1.1 Angstrom Resolution


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 E.Coli Iron Superoxide Dismutase Q69E at 1.1 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe193 b:9.1 occ:1.00 OD2 C:ASP156 1.9 9.2 1.0 NE2 C:HIS73 2.1 9.7 1.0 NE2 C:HIS160 2.1 9.5 1.0 O C:O194 2.1 10.5 1.0 NE2 C:HIS26 2.2 9.8 1.0 CG C:ASP156 3.0 8.4 1.0 CE1 C:HIS73 3.1 9.5 1.0 CD2 C:HIS73 3.1 9.8 1.0 CD2 C:HIS160 3.1 9.3 1.0 CE1 C:HIS160 3.1 9.4 1.0 CE1 C:HIS26 3.1 9.5 1.0 CD2 C:HIS26 3.2 9.2 1.0 OD1 C:ASP156 3.5 9.0 1.0 ND1 C:HIS73 4.2 10.2 1.0 CG C:HIS73 4.2 9.9 1.0 ND1 C:HIS160 4.2 9.5 1.0 ND1 C:HIS26 4.2 9.3 1.0 CG C:HIS160 4.2 9.0 1.0 CZ2 C:TRP122 4.3 10.0 1.0 CG C:HIS26 4.3 9.3 1.0 CB C:ASP156 4.3 8.6 1.0 CH2 C:TRP122 4.4 10.4 1.0 CB C:TRP158 4.4 9.1 1.0 OE2 C:GLU69 4.5 10.8 1.0 CG C:TRP158 4.6 8.9 1.0 CD1 C:TRP158 4.8 9.2 1.0

Iron binding site 4 out of 4 in the Crystal Structure of E.Coli Iron Superoxide Dismutase Q69E at 1.1 Angstrom Resolution


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 E.Coli Iron Superoxide Dismutase Q69E at 1.1 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe193 b:8.5 occ:1.00 OD2 D:ASP156 1.9 8.8 1.0 NE2 D:HIS73 2.1 8.7 1.0 NE2 D:HIS160 2.1 8.6 1.0 NE2 D:HIS26 2.2 9.1 1.0 O D:O194 2.2 9.3 1.0 CG D:ASP156 3.0 8.8 1.0 CD2 D:HIS73 3.1 8.9 1.0 CE1 D:HIS73 3.1 9.0 1.0 CD2 D:HIS160 3.1 9.0 1.0 CE1 D:HIS26 3.1 8.4 1.0 CE1 D:HIS160 3.1 8.4 1.0 CD2 D:HIS26 3.2 9.4 1.0 OD1 D:ASP156 3.5 9.4 1.0 ND1 D:HIS73 4.2 9.0 1.0 CG D:HIS73 4.2 9.3 1.0 ND1 D:HIS160 4.2 9.0 1.0 ND1 D:HIS26 4.2 8.9 1.0 CZ2 D:TRP122 4.2 10.1 1.0 CG D:HIS160 4.2 8.8 1.0 CB D:ASP156 4.3 9.2 1.0 CG D:HIS26 4.3 9.1 1.0 CH2 D:TRP122 4.4 10.3 1.0 CB D:TRP158 4.5 8.8 1.0 OE2 D:GLU69 4.5 9.9 1.0 CG D:TRP158 4.7 8.5 1.0 CD1 D:TRP158 4.9 8.7 1.0 CB D:ALA161 4.9 9.3 1.0

E.Yikilmaz, J.Porta, L.E.Grove, A.Vahedi-Faridi, Y.Bronshteyn, T.C.Brunold, G.E.Borgstahl, A.F.Miller. How Can A Single Second Sphere Amino Acid Substitution Cause Reduction Midpoint Potential Changes of Hundreds of Millivolts? J.Am.Chem.Soc. V. 129 9927 2007.
ISSN: ISSN 0002-7863
PubMed: 17628062
DOI: 10.1021/JA069224T