Iron in PDB 2bpi: Structure of Iron Dependent Superoxide Dismutase From P. Falciparum.

All present enzymatic activity of Structure of Iron Dependent Superoxide Dismutase From P. Falciparum.:
1.15.1.1;

The structure of Structure of Iron Dependent Superoxide Dismutase From P. Falciparum., PDB code: 2bpi was solved by I.W.Boucher, J.A.Brannigan, A.J.Wilkinson, A.M.Brzozowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.76 / 2.52
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.941, 78.910, 90.621, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 26.3

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

Iron binding site 1 out of 2 in the Structure of Iron Dependent Superoxide Dismutase From P. Falciparum.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Iron Dependent Superoxide Dismutase From P. Falciparum. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1198 b:24.1 occ:1.00 OD2 A:ASP157 1.8 26.2 1.0 NE2 A:HIS161 2.1 19.3 1.0 NE2 A:HIS73 2.1 19.2 1.0 O A:HOH2055 2.1 15.0 1.0 NE2 A:HIS26 2.3 15.7 1.0 CD2 A:HIS161 3.0 19.5 1.0 CG A:ASP157 3.0 25.6 1.0 CE1 A:HIS73 3.0 18.2 1.0 CD2 A:HIS73 3.1 18.9 1.0 CE1 A:HIS161 3.1 17.5 1.0 CE1 A:HIS26 3.2 17.6 1.0 CD2 A:HIS26 3.2 15.5 1.0 OD1 A:ASP157 3.5 26.1 1.0 CG A:HIS161 4.1 19.9 1.0 ND1 A:HIS73 4.2 19.0 1.0 ND1 A:HIS161 4.2 18.3 1.0 CG A:HIS73 4.2 20.3 1.0 CB A:ASP157 4.2 23.1 1.0 ND1 A:HIS26 4.3 17.8 1.0 CG A:HIS26 4.3 20.8 1.0 CH2 A:TRP122 4.3 20.5 1.0 CZ2 A:TRP122 4.5 21.0 1.0 CB A:TRP159 4.5 20.1 1.0 CG A:TRP159 4.7 19.7 1.0 CB A:ALA162 4.9 18.5 1.0 NE2 A:GLN69 4.9 24.2 1.0

Iron binding site 2 out of 2 in the Structure of Iron Dependent Superoxide Dismutase From P. Falciparum.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Iron Dependent Superoxide Dismutase From P. Falciparum. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1198 b:24.5 occ:1.00 NE2 B:HIS161 2.0 20.1 1.0 OD2 B:ASP157 2.0 20.4 1.0 NE2 B:HIS26 2.1 19.3 1.0 NE2 B:HIS73 2.1 20.9 1.0 O B:HOH2054 2.3 15.1 1.0 CE1 B:HIS26 3.0 20.7 1.0 CE1 B:HIS161 3.0 17.1 1.0 CD2 B:HIS73 3.0 19.0 1.0 CD2 B:HIS161 3.0 19.3 1.0 CD2 B:HIS26 3.1 20.8 1.0 CE1 B:HIS73 3.2 21.0 1.0 CG B:ASP157 3.2 19.1 1.0 OD1 B:ASP157 3.7 20.2 1.0 ND1 B:HIS26 4.1 21.9 1.0 ND1 B:HIS161 4.1 19.1 1.0 CG B:HIS161 4.2 19.5 1.0 CG B:HIS26 4.2 22.7 1.0 CG B:HIS73 4.2 20.8 1.0 ND1 B:HIS73 4.2 19.5 1.0 CH2 B:TRP122 4.3 19.6 1.0 CB B:ASP157 4.4 17.9 1.0 CB B:TRP159 4.5 22.1 1.0 CZ2 B:TRP122 4.5 17.8 1.0 CG B:TRP159 4.6 23.4 1.0 NE2 B:GLN69 4.8 15.4 1.0 CD1 B:TRP159 4.9 23.3 1.0 CB B:ALA162 4.9 19.5 1.0

I.W.Boucher, A.M.Brzozowski, J.A.Brannigan, C.Schnick, D.J.Smith, S.A.Kyes, A.J.Wilkinson. The Crystal Structure of Superoxide Dismutase From Plasmodium Falciparum. Bmc Struct.Biol. V. 6 20 2006.
ISSN: ISSN 1472-6807
PubMed: 17020617
DOI: 10.1186/1472-6807-6-20