Iron in PDB 4h3e: Crystal Structure of A Putative Iron Superoxide Dismutase From Trypanosoma Cruzi Bound to Iron

All present enzymatic activity of Crystal Structure of A Putative Iron Superoxide Dismutase From Trypanosoma Cruzi Bound to Iron:
1.15.1.1;

The structure of Crystal Structure of A Putative Iron Superoxide Dismutase From Trypanosoma Cruzi Bound to Iron, PDB code: 4h3e was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.19 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.650, 75.680, 117.450, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 21.2

The binding sites of Iron atom in the Crystal Structure of A Putative Iron Superoxide Dismutase From Trypanosoma Cruzi Bound to Iron (pdb code 4h3e). 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 A Putative Iron Superoxide Dismutase From Trypanosoma Cruzi Bound to Iron, PDB code: 4h3e:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of A Putative Iron Superoxide Dismutase From Trypanosoma Cruzi Bound to Iron


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 A Putative Iron Superoxide Dismutase From Trypanosoma Cruzi Bound to Iron within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:11.0 occ:1.00 OD2 A:ASP194 2.0 7.5 1.0 NE2 A:HIS198 2.2 9.4 1.0 NE2 A:HIS110 2.2 8.1 1.0 NE2 A:HIS59 2.3 8.2 1.0 O A:HOH402 2.3 11.7 1.0 CD2 A:HIS198 3.0 9.1 1.0 CD2 A:HIS110 3.1 8.0 1.0 CG A:ASP194 3.1 7.6 1.0 CD2 A:HIS59 3.1 8.5 1.0 CE1 A:HIS110 3.1 8.1 1.0 CE1 A:HIS198 3.2 9.2 1.0 CE1 A:HIS59 3.3 8.2 1.0 OD1 A:ASP194 3.5 7.6 1.0 CG A:HIS110 4.2 8.0 1.0 ND1 A:HIS110 4.2 8.0 1.0 CG A:HIS198 4.2 9.1 1.0 CH2 A:TRP158 4.2 7.7 1.0 ND1 A:HIS198 4.3 9.3 1.0 CG A:HIS59 4.3 8.6 1.0 CB A:ASP194 4.3 7.5 1.0 ND1 A:HIS59 4.4 8.3 1.0 CZ2 A:TRP158 4.4 7.8 1.0 CB A:TRP196 4.5 8.3 1.0 CG A:TRP196 4.8 8.2 1.0 CB A:ALA199 4.8 8.5 1.0

Iron binding site 2 out of 2 in the Crystal Structure of A Putative Iron Superoxide Dismutase From Trypanosoma Cruzi Bound to Iron


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 A Putative Iron Superoxide Dismutase From Trypanosoma Cruzi Bound to Iron within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:9.8 occ:1.00 OD2 B:ASP194 1.9 8.3 1.0 NE2 B:HIS110 2.1 7.3 1.0 NE2 B:HIS198 2.2 8.3 1.0 O B:HOH402 2.3 3.3 1.0 NE2 B:HIS59 2.3 7.8 1.0 CG B:ASP194 3.0 7.9 1.0 CD2 B:HIS198 3.1 8.5 1.0 CD2 B:HIS110 3.1 7.3 1.0 CE1 B:HIS110 3.1 7.4 1.0 CE1 B:HIS198 3.2 8.3 1.0 CD2 B:HIS59 3.2 7.8 1.0 CE1 B:HIS59 3.3 7.9 1.0 OD1 B:ASP194 3.4 7.7 1.0 ND1 B:HIS110 4.2 7.5 1.0 CG B:HIS110 4.2 7.4 1.0 CH2 B:TRP158 4.2 6.9 1.0 CG B:HIS198 4.2 8.4 1.0 ND1 B:HIS198 4.3 8.5 1.0 CB B:ASP194 4.3 7.8 1.0 CZ2 B:TRP158 4.4 6.8 1.0 CG B:HIS59 4.4 7.9 1.0 ND1 B:HIS59 4.4 7.8 1.0 CB B:TRP196 4.4 8.1 1.0 CG B:TRP196 4.7 8.3 1.0 CB B:ALA199 4.8 7.7 1.0 CD1 B:TRP196 5.0 8.4 1.0

I.Q.Phan, D.R.Davies, N.S.Moretti, D.Shanmugam, I.Cestari, A.Anupama, J.W.Fairman, T.E.Edwards, K.Stuart, S.Schenkman, P.J.Myler. Iron Superoxide Dismutases in Eukaryotic Pathogens: New Insights From Apicomplexa and Trypanosoma Structures. Acta Crystallogr F Struct V. 71 615 2015BIOL Commun.
PubMed: 25961325
DOI: 10.1107/S2053230X15004185