Iron in PDB 2goj: The Crystal Structure of the Enzyme Fe-Superoxide Dismutase From Plasmodium Falciparum

All present enzymatic activity of The Crystal Structure of the Enzyme Fe-Superoxide Dismutase From Plasmodium Falciparum:
1.15.1.1;

The structure of The Crystal Structure of the Enzyme Fe-Superoxide Dismutase From Plasmodium Falciparum, PDB code: 2goj was solved by M.V.A.S.Navarro, R.C.Garratt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.62 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.402, 78.417, 88.369, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 19.4

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

Iron binding site 1 out of 2 in the The Crystal Structure of the Enzyme Fe-Superoxide Dismutase From Plasmodium Falciparum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of the Enzyme Fe-Superoxide Dismutase From Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe198 b:12.5 occ:1.00 OD2 A:ASP157 1.9 11.4 1.0 O A:HOH199 2.0 8.3 1.0 NE2 A:HIS161 2.1 9.6 1.0 NE2 A:HIS26 2.2 7.8 1.0 NE2 A:HIS73 2.2 13.0 1.0 CD2 A:HIS161 3.1 9.0 1.0 CE1 A:HIS73 3.1 12.8 1.0 CG A:ASP157 3.1 10.8 1.0 CE1 A:HIS161 3.1 9.3 1.0 CE1 A:HIS26 3.2 8.4 1.0 CD2 A:HIS26 3.2 8.1 1.0 CD2 A:HIS73 3.2 13.2 1.0 OD1 A:ASP157 3.5 10.4 1.0 ND1 A:HIS73 4.2 11.2 1.0 ND1 A:HIS161 4.2 9.6 1.0 CG A:HIS161 4.2 10.3 1.0 CH2 A:TRP122 4.2 12.4 1.0 ND1 A:HIS26 4.3 8.3 1.0 CG A:HIS73 4.3 11.5 1.0 CG A:HIS26 4.3 8.4 1.0 CZ2 A:TRP122 4.3 12.0 1.0 CB A:ASP157 4.3 10.5 1.0 CB A:TRP159 4.4 9.9 1.0 CG A:TRP159 4.6 9.1 1.0 CD1 A:TRP159 4.8 7.8 1.0 NE2 A:GLN69 4.8 11.0 1.0

Iron binding site 2 out of 2 in the The Crystal Structure of the Enzyme Fe-Superoxide Dismutase From Plasmodium Falciparum


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystal Structure of the Enzyme Fe-Superoxide Dismutase From Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe198 b:11.7 occ:1.00 OD2 B:ASP157 1.9 7.4 1.0 O B:HOH199 2.1 9.0 1.0 NE2 B:HIS161 2.2 12.7 1.0 NE2 B:HIS73 2.2 11.4 1.0 NE2 B:HIS26 2.3 6.4 1.0 CG B:ASP157 3.0 8.8 1.0 CD2 B:HIS161 3.1 11.7 1.0 CE1 B:HIS26 3.2 6.8 1.0 CE1 B:HIS73 3.2 10.3 1.0 CD2 B:HIS73 3.2 10.2 1.0 CE1 B:HIS161 3.2 11.7 1.0 CD2 B:HIS26 3.3 7.7 1.0 OD1 B:ASP157 3.4 6.8 1.0 ND1 B:HIS73 4.2 9.2 1.0 CG B:HIS161 4.3 10.7 1.0 ND1 B:HIS161 4.3 11.0 1.0 CG B:HIS73 4.3 9.7 1.0 CB B:ASP157 4.3 9.6 1.0 ND1 B:HIS26 4.3 6.8 1.0 CH2 B:TRP122 4.4 9.0 1.0 CB B:TRP159 4.4 10.4 1.0 CG B:HIS26 4.4 7.6 1.0 CZ2 B:TRP122 4.4 9.8 1.0 CG B:TRP159 4.6 11.5 1.0 CD1 B:TRP159 4.8 10.3 1.0 NE2 B:GLN69 4.8 10.2 1.0 CB B:ALA162 5.0 9.6 1.0

J.F.Bachega, M.V.Navarro, L.Bleicher, R.K.Bortoleto-Bugs, D.Dive, P.Hoffmann, E.Viscogliosi, R.C.Garratt. Systematic Structural Studies of Iron Superoxide Dismutases From Human Parasites and A Statistical Coupling Analysis of Metal Binding Specificity Proteins V. 77 26 2009.
ISSN: ISSN 0887-3585
PubMed: 19384994
DOI: 10.1002/PROT.22412