Iron in PDB 6ex4: Staphylococcus Aureus Cambialistic Superoxide Dismutase Sodm

All present enzymatic activity of Staphylococcus Aureus Cambialistic Superoxide Dismutase Sodm:
1.15.1.1;

The structure of Staphylococcus Aureus Cambialistic Superoxide Dismutase Sodm, PDB code: 6ex4 was solved by A.Barwinska-Sendra, A.Basle, K.Waldron, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.47 / 2.40
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	141.954, 141.954, 46.159, 90.00, 90.00, 120.00
R / Rfree (%)	17.4 / 21.9

The binding sites of Iron atom in the Staphylococcus Aureus Cambialistic Superoxide Dismutase Sodm (pdb code 6ex4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Staphylococcus Aureus Cambialistic Superoxide Dismutase Sodm, PDB code: 6ex4:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Staphylococcus Aureus Cambialistic Superoxide Dismutase Sodm


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Staphylococcus Aureus Cambialistic Superoxide Dismutase Sodm within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:31.3 occ:1.00 OD2 A:ASP161 2.0 31.0 1.0 NE2 A:HIS81 2.1 27.7 1.0 NE2 A:HIS27 2.2 30.1 1.0 NE2 A:HIS165 2.2 32.3 1.0 O A:HOH312 2.3 33.6 1.0 CD2 A:HIS81 3.0 28.4 1.0 CG A:ASP161 3.1 32.5 1.0 CE1 A:HIS27 3.1 31.0 1.0 CD2 A:HIS27 3.2 30.9 1.0 CE1 A:HIS81 3.2 28.6 1.0 CD2 A:HIS165 3.2 32.6 1.0 CE1 A:HIS165 3.2 31.7 1.0 OD1 A:ASP161 3.5 34.6 1.0 CG A:HIS81 4.2 28.3 1.0 CZ2 A:TRP128 4.2 31.9 1.0 ND1 A:HIS27 4.2 31.7 1.0 ND1 A:HIS81 4.2 27.8 1.0 CG A:HIS27 4.3 31.5 1.0 ND1 A:HIS165 4.3 32.1 1.0 CG A:HIS165 4.4 32.5 1.0 CB A:ASP161 4.4 31.9 1.0 CH2 A:TRP128 4.5 32.7 1.0 CB A:TRP163 4.6 31.3 1.0 NE2 A:GLN146 4.7 30.5 1.0 CG A:TRP163 4.7 31.1 1.0 CB A:ALA166 4.8 30.1 1.0 CD1 A:TRP163 5.0 30.6 1.0

Iron binding site 2 out of 2 in the Staphylococcus Aureus Cambialistic Superoxide Dismutase Sodm


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Staphylococcus Aureus Cambialistic Superoxide Dismutase Sodm within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:32.9 occ:1.00 OD2 B:ASP161 1.9 33.2 1.0 NE2 B:HIS27 2.0 33.0 1.0 NE2 B:HIS165 2.1 34.1 1.0 NE2 B:HIS81 2.1 38.4 1.0 O B:HOH317 2.3 39.3 1.0 CE1 B:HIS27 3.0 33.4 1.0 CG B:ASP161 3.0 33.3 1.0 CE1 B:HIS165 3.1 33.7 1.0 CD2 B:HIS27 3.1 33.7 1.0 CE1 B:HIS81 3.1 38.3 1.0 CD2 B:HIS81 3.1 38.4 1.0 CD2 B:HIS165 3.2 33.7 1.0 OD1 B:ASP161 3.5 34.0 1.0 ND1 B:HIS27 4.1 34.3 1.0 ND1 B:HIS81 4.2 37.5 1.0 CG B:HIS27 4.2 33.6 1.0 ND1 B:HIS165 4.2 34.0 1.0 CG B:HIS81 4.2 37.0 1.0 CB B:ASP161 4.3 32.6 1.0 CG B:HIS165 4.3 33.9 1.0 CZ2 B:TRP128 4.3 32.0 1.0 CH2 B:TRP128 4.6 32.1 1.0 CB B:TRP163 4.7 32.4 1.0 CG B:TRP163 4.8 32.0 1.0 NE2 B:GLN146 4.8 29.9 1.0 CB B:ALA166 4.9 31.8 1.0

A.Barwinska-Sendra, Y.M.Garcia, A.Basle, E.Tarrant, K.Sendra, S.Un, T.E.Kehl-Fie, K.J.Waldron. An Evolutionary Path to Altered Cofactor Specificity in A Metalloenzyme To Be Published.