Iron in PDB 4yio: X-Ray Structure of the Iron/Manganese Cambialistic Superoxide Dismutase From Streptococcus Thermophilus

All present enzymatic activity of X-Ray Structure of the Iron/Manganese Cambialistic Superoxide Dismutase From Streptococcus Thermophilus:
1.15.1.1;

The structure of X-Ray Structure of the Iron/Manganese Cambialistic Superoxide Dismutase From Streptococcus Thermophilus, PDB code: 4yio was solved by I.Russo Krauss, A.Merlino, A.Pica, F.Sica, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.89 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	98.517, 100.230, 118.120, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 17.5

The binding sites of Iron atom in the X-Ray Structure of the Iron/Manganese Cambialistic Superoxide Dismutase From Streptococcus Thermophilus (pdb code 4yio). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the X-Ray Structure of the Iron/Manganese Cambialistic Superoxide Dismutase From Streptococcus Thermophilus, PDB code: 4yio:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the X-Ray Structure of the Iron/Manganese Cambialistic Superoxide Dismutase From Streptococcus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of the Iron/Manganese Cambialistic Superoxide Dismutase From Streptococcus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:14.6 occ:1.00 OD2 A:ASP162 2.1 15.2 1.0 NE2 A:HIS166 2.1 13.6 1.0 NE2 A:HIS80 2.1 16.2 1.0 NE2 A:HIS26 2.2 13.8 1.0 O A:HOH462 2.3 15.3 1.0 CE1 A:HIS166 3.1 14.9 1.0 CD2 A:HIS166 3.1 14.3 1.0 CD2 A:HIS26 3.1 15.6 1.0 CE1 A:HIS80 3.1 15.9 1.0 CD2 A:HIS80 3.1 15.9 1.0 CG A:ASP162 3.1 14.7 1.0 CE1 A:HIS26 3.2 14.5 1.0 OD1 A:ASP162 3.6 14.4 1.0 ND1 A:HIS166 4.2 14.1 1.0 ND1 A:HIS80 4.2 14.9 1.0 CG A:HIS166 4.2 12.4 1.0 CG A:HIS26 4.2 15.3 1.0 ND1 A:HIS26 4.3 15.0 1.0 CG A:HIS80 4.3 14.4 1.0 CB A:ASP162 4.4 13.9 1.0 CZ2 A:TRP128 4.5 14.9 1.0 NE2 A:GLN147 4.7 15.2 1.0 CB A:TRP164 4.7 12.6 1.0 CG A:TRP164 4.8 12.1 1.0 CB A:ALA167 4.9 15.2 1.0

Iron binding site 2 out of 2 in the X-Ray Structure of the Iron/Manganese Cambialistic Superoxide Dismutase From Streptococcus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Structure of the Iron/Manganese Cambialistic Superoxide Dismutase From Streptococcus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:15.4 occ:1.00 OD2 B:ASP162 2.0 17.4 1.0 NE2 B:HIS80 2.1 16.3 1.0 NE2 B:HIS26 2.1 15.6 1.0 NE2 B:HIS166 2.1 13.7 1.0 O B:HOH467 2.3 18.5 1.0 CE1 B:HIS26 3.0 15.0 1.0 CE1 B:HIS80 3.0 14.0 1.0 CD2 B:HIS166 3.0 13.7 1.0 CG B:ASP162 3.1 14.1 1.0 CD2 B:HIS26 3.1 17.0 1.0 CD2 B:HIS80 3.1 16.8 1.0 CE1 B:HIS166 3.1 16.0 1.0 OD1 B:ASP162 3.5 15.1 1.0 ND1 B:HIS80 4.2 15.6 1.0 ND1 B:HIS26 4.2 16.8 1.0 CG B:HIS166 4.2 13.8 1.0 ND1 B:HIS166 4.2 15.1 1.0 CG B:HIS26 4.2 14.8 1.0 CG B:HIS80 4.2 14.7 1.0 CB B:ASP162 4.4 13.1 1.0 CB B:TRP164 4.6 12.6 1.0 CZ2 B:TRP128 4.6 16.0 1.0 NE2 B:GLN147 4.7 15.0 1.0 CG B:TRP164 4.8 12.4 1.0 CB B:ALA167 4.9 15.8 1.0

I.Russo Krauss, A.Merlino, A.Pica, R.Rullo, A.Bertoni, A.Capasso, M.Amato, F.Riccitiello, E.De Vendittis, F.Sica. Fine Tuning of Metal-Specific Activity in the Mn-Like Group of Cambialistic Superoxide Dismutases Rsc Adv V. 5 87876 2015.
ISSN: ESSN 2046-2069
DOI: 10.1039/C5RA13559A