Iron in PDB 4dvh: Crystal Structure of Trypanosoma Cruzi Mitochondrial Iron Superoxide Dismutase

All present enzymatic activity of Crystal Structure of Trypanosoma Cruzi Mitochondrial Iron Superoxide Dismutase:
1.15.1.1;

The structure of Crystal Structure of Trypanosoma Cruzi Mitochondrial Iron Superoxide Dismutase, PDB code: 4dvh was solved by N.Larrieux, A.Buschiazzo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.17 / 2.23
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.170, 74.550, 56.850, 90.00, 96.81, 90.00
R / Rfree (%)	16.8 / 22

The binding sites of Iron atom in the Crystal Structure of Trypanosoma Cruzi Mitochondrial Iron Superoxide Dismutase (pdb code 4dvh). 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 Trypanosoma Cruzi Mitochondrial Iron Superoxide Dismutase, PDB code: 4dvh:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Trypanosoma Cruzi Mitochondrial Iron Superoxide Dismutase


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 Trypanosoma Cruzi Mitochondrial Iron Superoxide Dismutase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:18.9 occ:1.00 OD2 A:ASP163 2.0 21.9 1.0 NE2 A:HIS79 2.1 21.1 1.0 NE2 A:HIS167 2.1 21.6 1.0 NE2 A:HIS28 2.1 18.1 1.0 O A:HOH402 2.3 31.9 1.0 CD2 A:HIS79 3.0 21.4 1.0 CD2 A:HIS167 3.0 21.9 1.0 CG A:ASP163 3.1 19.9 1.0 CD2 A:HIS28 3.1 18.1 1.0 CE1 A:HIS79 3.1 20.4 1.0 CE1 A:HIS28 3.1 17.2 1.0 CE1 A:HIS167 3.2 21.1 1.0 OD1 A:ASP163 3.6 16.5 1.0 CG A:HIS79 4.1 19.4 1.0 CG A:HIS167 4.2 20.7 1.0 ND1 A:HIS79 4.2 21.1 1.0 CG A:HIS28 4.2 17.7 1.0 ND1 A:HIS28 4.3 18.6 1.0 ND1 A:HIS167 4.3 22.0 1.0 CB A:ASP163 4.3 18.1 1.0 CH2 A:TRP127 4.4 22.1 1.0 CZ2 A:TRP127 4.5 22.4 1.0 CB A:TRP165 4.6 15.4 1.0 CB A:ALA168 4.8 16.4 1.0 CG A:TRP165 4.9 16.1 1.0 CB A:HIS32 5.0 19.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Trypanosoma Cruzi Mitochondrial Iron Superoxide Dismutase


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 Trypanosoma Cruzi Mitochondrial Iron Superoxide Dismutase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:16.8 occ:1.00 OD2 B:ASP163 1.9 29.1 1.0 NE2 B:HIS79 2.1 19.6 1.0 NE2 B:HIS167 2.1 19.4 1.0 NE2 B:HIS28 2.1 14.6 1.0 O B:HOH405 2.3 20.2 1.0 CD2 B:HIS167 2.9 19.7 1.0 CD2 B:HIS79 3.0 19.5 1.0 CD2 B:HIS28 3.1 15.4 1.0 CG B:ASP163 3.1 27.4 1.0 CE1 B:HIS28 3.1 15.0 1.0 CE1 B:HIS79 3.2 19.8 1.0 CE1 B:HIS167 3.2 19.4 1.0 OD1 B:ASP163 3.6 26.5 1.0 CG B:HIS79 4.1 19.0 1.0 CG B:HIS167 4.1 19.3 1.0 CG B:HIS28 4.2 16.2 1.0 ND1 B:HIS28 4.2 15.8 1.0 ND1 B:HIS79 4.2 20.6 1.0 ND1 B:HIS167 4.3 20.3 1.0 CB B:ASP163 4.3 21.2 1.0 CH2 B:TRP127 4.4 19.7 1.0 CZ2 B:TRP127 4.5 19.6 1.0 CB B:TRP165 4.6 16.5 1.0 CB B:ALA168 4.7 17.8 1.0 CG B:TRP165 4.9 17.8 1.0

A.Martinez, G.Peluffo, A.A.Petruk, M.Hugo, D.Pineyro, V.Demicheli, D.M.Moreno, A.Lima, C.Batthyany, R.Duran, C.Robello, M.A.Marti, N.Larrieux, A.Buschiazzo, M.Trujillo, R.Radi, L.Piacenza. Structural and Molecular Basis of the Peroxynitrite-Mediated Nitration and Inactivation of Trypanosoma Cruzi Iron-Superoxide Dismutases (Fe-Sods) A and B: Disparate Susceptibilities Due to the Repair of TYR35 Radical By CYS83 in Fe-Sodb Through Intramolecular Electron Transfer. J.Biol.Chem. V. 289 12760 2014.
ISSN: ISSN 0021-9258
PubMed: 24616096
DOI: 10.1074/JBC.M113.545590