Iron in PDB 2gpc: The Crystal Structure of the Enzyme Fe-Superoxide Dismutase From Trypanosoma Cruzi

The structure of The Crystal Structure of the Enzyme Fe-Superoxide Dismutase From Trypanosoma Cruzi, PDB code: 2gpc 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)	29.49 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	109.626, 38.985, 91.073, 90.00, 105.85, 90.00
R / Rfree (%)	15.4 / 19.8

The structure of The Crystal Structure of the Enzyme Fe-Superoxide Dismutase From Trypanosoma Cruzi also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Iron atom in the The Crystal Structure of the Enzyme Fe-Superoxide Dismutase From Trypanosoma Cruzi (pdb code 2gpc). 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 Trypanosoma Cruzi, PDB code: 2gpc:
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 Trypanosoma Cruzi


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 Trypanosoma Cruzi within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe195 b:10.6 occ:1.00 OD2 A:ASP160 2.0 8.7 1.0 NE2 A:HIS164 2.1 9.6 1.0 NE2 A:HIS75 2.1 9.6 1.0 NE2 A:HIS27 2.1 8.1 1.0 O A:HOH505 2.3 9.5 1.0 CD2 A:HIS164 3.0 9.3 1.0 CE1 A:HIS75 3.0 7.9 1.0 CD2 A:HIS75 3.1 9.9 1.0 CD2 A:HIS27 3.1 7.9 1.0 CE1 A:HIS164 3.1 9.3 1.0 CE1 A:HIS27 3.1 8.2 1.0 CG A:ASP160 3.1 10.9 1.0 OD1 A:ASP160 3.6 9.8 1.0 ND1 A:HIS75 4.1 8.8 1.0 CG A:HIS164 4.2 9.8 1.0 CG A:HIS75 4.2 9.6 1.0 ND1 A:HIS164 4.2 10.7 1.0 ND1 A:HIS27 4.2 8.9 1.0 CG A:HIS27 4.3 7.9 1.0 CB A:ASP160 4.4 10.4 1.0 CH2 A:TRP124 4.4 10.7 1.0 CB A:TRP162 4.5 10.0 1.0 CZ2 A:TRP124 4.6 10.5 1.0 CB A:ALA165 4.7 10.3 1.0 CG A:TRP162 4.8 9.9 1.0

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


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 Trypanosoma Cruzi within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe195 b:12.8 occ:1.00 OD2 B:ASP160 2.0 13.1 1.0 NE2 B:HIS164 2.1 11.2 1.0 NE2 B:HIS75 2.1 10.5 1.0 O B:HOH196 2.3 8.4 1.0 NE2 B:HIS27 2.3 11.1 1.0 CD2 B:HIS75 3.0 10.8 1.0 CD2 B:HIS164 3.0 11.0 1.0 CG B:ASP160 3.1 12.8 1.0 CE1 B:HIS164 3.1 12.4 1.0 CE1 B:HIS75 3.2 11.2 1.0 CE1 B:HIS27 3.2 9.9 1.0 CD2 B:HIS27 3.3 11.5 1.0 OD1 B:ASP160 3.6 12.1 1.0 CG B:HIS75 4.2 10.5 1.0 CG B:HIS164 4.2 10.5 1.0 ND1 B:HIS164 4.2 11.7 1.0 ND1 B:HIS75 4.2 11.6 1.0 ND1 B:HIS27 4.3 11.0 1.0 CB B:ASP160 4.4 12.0 1.0 CG B:HIS27 4.4 11.9 1.0 CH2 B:TRP124 4.5 10.5 1.0 CB B:TRP162 4.5 11.2 1.0 CZ2 B:TRP124 4.6 10.7 1.0 CB B:ALA165 4.7 12.3 1.0 CG B:TRP162 4.8 12.0 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