Iron in PDB 2cw3: X-Ray Structure of PMSOD2, Superoxide Dismutase From Perkinsus Marinus

All present enzymatic activity of X-Ray Structure of PMSOD2, Superoxide Dismutase From Perkinsus Marinus:
1.15.1.1;

The structure of X-Ray Structure of PMSOD2, Superoxide Dismutase From Perkinsus Marinus, PDB code: 2cw3 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)	29.21 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.430, 73.894, 94.530, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 25.7

The binding sites of Iron atom in the X-Ray Structure of PMSOD2, Superoxide Dismutase From Perkinsus Marinus (pdb code 2cw3). 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 PMSOD2, Superoxide Dismutase From Perkinsus Marinus, PDB code: 2cw3:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the X-Ray Structure of PMSOD2, Superoxide Dismutase From Perkinsus Marinus


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 PMSOD2, Superoxide Dismutase From Perkinsus Marinus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe524 b:8.2 occ:1.00 NE2 A:HIS173 1.9 8.3 1.0 NE2 A:HIS81 1.9 10.2 1.0 NE2 A:HIS31 1.9 11.1 1.0 OD1 A:ASP169 2.0 6.3 1.0 O A:HOH622 2.1 11.2 1.0 CD2 A:HIS173 2.8 8.1 1.0 CE1 A:HIS81 2.8 9.6 1.0 CE1 A:HIS31 2.9 10.2 1.0 CE1 A:HIS173 2.9 7.5 1.0 CD2 A:HIS81 3.0 9.7 1.0 CD2 A:HIS31 3.0 7.8 1.0 CG A:ASP169 3.1 6.8 1.0 OD2 A:ASP169 3.7 6.2 1.0 ND1 A:HIS81 3.9 8.8 1.0 CG A:HIS173 4.0 8.0 1.0 ND1 A:HIS31 4.0 8.7 1.0 ND1 A:HIS173 4.0 7.8 1.0 CG A:HIS81 4.1 8.9 1.0 CG A:HIS31 4.1 7.8 1.0 CH2 A:TRP132 4.3 2.6 1.0 CB A:ASP169 4.3 5.3 1.0 CB A:TRP171 4.4 6.0 1.0 CZ2 A:TRP132 4.6 2.5 1.0 CG A:TRP171 4.7 6.2 1.0 CB A:ALA174 4.9 7.1 1.0

Iron binding site 2 out of 2 in the X-Ray Structure of PMSOD2, Superoxide Dismutase From Perkinsus Marinus


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 PMSOD2, Superoxide Dismutase From Perkinsus Marinus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe539 b:7.0 occ:1.00 NE2 B:HIS173 1.9 9.4 1.0 NE2 B:HIS31 1.9 10.9 1.0 NE2 B:HIS81 1.9 3.6 1.0 OD1 B:ASP169 2.0 7.9 1.0 O B:HOH540 2.4 5.8 1.0 CE1 B:HIS81 2.8 2.4 1.0 CE1 B:HIS173 2.8 7.6 1.0 CE1 B:HIS31 2.9 11.0 1.0 CD2 B:HIS173 2.9 10.5 1.0 CD2 B:HIS31 2.9 10.8 1.0 CD2 B:HIS81 3.0 3.0 1.0 CG B:ASP169 3.1 8.0 1.0 OD2 B:ASP169 3.6 10.7 1.0 ND1 B:HIS81 4.0 4.6 1.0 ND1 B:HIS173 4.0 8.4 1.0 ND1 B:HIS31 4.0 10.3 1.0 CG B:HIS173 4.1 8.8 1.0 CG B:HIS31 4.1 12.0 1.0 CG B:HIS81 4.1 5.3 1.0 CH2 B:TRP132 4.2 7.9 1.0 CB B:ASP169 4.3 6.8 1.0 CZ2 B:TRP132 4.3 9.0 1.0 CB B:TRP171 4.6 8.8 1.0 CG B:TRP171 4.7 10.1 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