Iron in PDB 2cw2: Crystal Structure of Superoxide Dismutase From P. Marinus

All present enzymatic activity of Crystal Structure of Superoxide Dismutase From P. Marinus:
1.15.1.1;

The structure of Crystal Structure of Superoxide Dismutase From P. Marinus, PDB code: 2cw2 was solved by O.A.Asojo, E.J.Schott, G.R.Vasta, A.M.Silva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.80 / 1.86
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.813, 62.451, 57.354, 90.00, 95.54, 90.00
R / Rfree (%)	17.1 / 21.6

The binding sites of Iron atom in the Crystal Structure of Superoxide Dismutase From P. Marinus (pdb code 2cw2). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Superoxide Dismutase From P. Marinus, PDB code: 2cw2:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Superoxide Dismutase From P. Marinus


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 Superoxide Dismutase From P. Marinus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:11.3 occ:1.00 NE2 A:HIS166 1.9 10.5 1.0 NE2 A:HIS31 1.9 10.1 1.0 NE2 A:HIS80 1.9 9.6 1.0 OD2 A:ASP162 2.0 9.9 1.0 O A:HOH505 2.3 9.8 1.0 CE1 A:HIS31 2.9 10.0 1.0 CD2 A:HIS80 2.9 9.6 1.0 CE1 A:HIS166 2.9 9.6 1.0 CD2 A:HIS166 2.9 9.9 1.0 CE1 A:HIS80 3.0 8.8 1.0 CD2 A:HIS31 3.0 11.3 1.0 CG A:ASP162 3.1 11.0 1.0 OD1 A:ASP162 3.5 10.8 1.0 ND1 A:HIS31 4.0 11.0 1.0 CG A:HIS80 4.0 9.8 1.0 ND1 A:HIS166 4.0 11.4 1.0 ND1 A:HIS80 4.0 9.2 1.0 CG A:HIS166 4.1 9.5 1.0 CG A:HIS31 4.1 10.8 1.0 CZ2 A:TRP129 4.3 10.9 1.0 CH2 A:TRP129 4.3 9.2 1.0 CB A:ASP162 4.4 9.7 1.0 CB A:TRP164 4.5 8.6 1.0 CG A:TRP164 4.7 8.5 1.0 CB A:ALA167 4.9 8.1 1.0 NE2 A:GLN76 5.0 12.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Superoxide Dismutase From P. Marinus


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 Superoxide Dismutase From P. Marinus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe403 b:10.4 occ:1.00 NE2 B:HIS80 1.9 9.8 1.0 NE2 B:HIS166 1.9 11.3 1.0 NE2 B:HIS31 1.9 10.6 1.0 OD2 B:ASP162 2.0 10.6 1.0 O B:HOH497 2.2 13.3 1.0 CE1 B:HIS31 2.8 11.7 1.0 CE1 B:HIS166 2.9 12.9 1.0 CD2 B:HIS80 2.9 10.6 1.0 CE1 B:HIS80 2.9 9.7 1.0 CD2 B:HIS166 3.0 12.5 1.0 CD2 B:HIS31 3.0 10.9 1.0 CG B:ASP162 3.1 10.7 1.0 OD1 B:ASP162 3.5 9.5 1.0 ND1 B:HIS31 4.0 12.9 1.0 ND1 B:HIS166 4.0 12.2 1.0 ND1 B:HIS80 4.0 10.9 1.0 CG B:HIS80 4.1 9.9 1.0 CG B:HIS31 4.1 12.1 1.0 CG B:HIS166 4.1 12.1 1.0 CZ2 B:TRP129 4.3 12.7 1.0 CH2 B:TRP129 4.3 11.1 1.0 CB B:ASP162 4.4 10.2 1.0 CB B:TRP164 4.5 9.8 1.0 CG B:TRP164 4.7 9.8 1.0 CB B:ALA167 4.8 10.1 1.0 NE2 B:GLN76 5.0 10.7 1.0

O.A.Asojo, E.J.Schott, G.R.Vasta, A.M.Silva. Structures of PMSOD1 and PMSOD2, Two Superoxide Dismutases From the Protozoan Parasite Perkinsus Marinus Acta Crystallogr.,Sect.F V. 62 1072 2006.
ISSN: ESSN 1744-3091
PubMed: 17077482
DOI: 10.1107/S1744309106040425