Iron in PDB 3cei: Crystal Structure of Superoxide Dismutase From Helicobacter Pylori

All present enzymatic activity of Crystal Structure of Superoxide Dismutase From Helicobacter Pylori:
1.15.1.1;

The structure of Crystal Structure of Superoxide Dismutase From Helicobacter Pylori, PDB code: 3cei was solved by L.Esposito, A.Seydel, R.Aiello, G.Sorrentino, L.Cendron, G.Zanotti, A.Zagari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.00 / 2.40
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	108.716, 108.716, 158.031, 90.00, 90.00, 120.00
R / Rfree (%)	20.1 / 25.4

The binding sites of Iron atom in the Crystal Structure of Superoxide Dismutase From Helicobacter Pylori (pdb code 3cei). 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 Superoxide Dismutase From Helicobacter Pylori, PDB code: 3cei:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Superoxide Dismutase From Helicobacter Pylori


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 Superoxide Dismutase From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:21.7 occ:1.00 OD2 A:ASP156 1.9 24.7 1.0 O A:HOH600 2.0 24.1 1.0 NE2 A:HIS73 2.1 26.2 1.0 NE2 A:HIS160 2.1 28.7 1.0 NE2 A:HIS26 2.1 20.6 1.0 CE1 A:HIS73 3.0 26.6 1.0 CE1 A:HIS26 3.0 22.8 1.0 CG A:ASP156 3.0 26.5 1.0 CE1 A:HIS160 3.1 30.2 1.0 CD2 A:HIS73 3.1 23.9 1.0 CD2 A:HIS26 3.2 18.1 1.0 CD2 A:HIS160 3.2 25.1 1.0 OD1 A:ASP156 3.5 26.1 1.0 ND1 A:HIS73 4.1 28.4 1.0 ND1 A:HIS26 4.2 20.4 1.0 CG A:HIS73 4.2 26.5 1.0 CH2 A:TRP121 4.2 23.0 1.0 ND1 A:HIS160 4.2 22.4 1.0 CG A:HIS26 4.3 23.8 1.0 CB A:ASP156 4.3 24.8 1.0 CG A:HIS160 4.3 24.6 1.0 CZ2 A:TRP121 4.4 23.8 1.0 CB A:TRP158 4.6 21.5 1.0 CB A:ALA161 4.7 22.4 1.0 CG A:TRP158 4.8 24.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Superoxide Dismutase From Helicobacter Pylori


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 Superoxide Dismutase From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:22.9 occ:1.00 OD2 B:ASP156 1.9 18.2 1.0 O B:HOH600 2.0 20.2 1.0 NE2 B:HIS160 2.1 28.0 1.0 NE2 B:HIS26 2.1 20.8 1.0 NE2 B:HIS73 2.1 27.4 1.0 CE1 B:HIS26 3.0 19.6 1.0 CG B:ASP156 3.0 23.0 1.0 CE1 B:HIS160 3.1 29.2 1.0 CE1 B:HIS73 3.1 24.2 1.0 CD2 B:HIS73 3.1 22.9 1.0 CD2 B:HIS160 3.2 26.7 1.0 CD2 B:HIS26 3.2 16.9 1.0 OD1 B:ASP156 3.5 20.1 1.0 ND1 B:HIS26 4.2 21.0 1.0 ND1 B:HIS160 4.2 25.8 1.0 CH2 B:TRP121 4.2 20.3 1.0 ND1 B:HIS73 4.2 24.1 1.0 CG B:HIS73 4.3 23.8 1.0 CG B:HIS160 4.3 26.8 1.0 CG B:HIS26 4.3 22.1 1.0 CB B:ASP156 4.3 22.5 1.0 CZ2 B:TRP121 4.4 20.1 1.0 CB B:TRP158 4.6 21.7 1.0 CB B:ALA161 4.7 19.9 1.0 CG B:TRP158 4.8 23.6 1.0

L.Esposito, A.Seydel, R.Aiello, G.Sorrentino, L.Cendron, G.Zanotti, A.Zagari. The Crystal Structure of the Superoxide Dismutase From Helicobacter Pylori Reveals A Structured C-Terminal Extension Biochim.Biophys.Acta V.1784 1601 2008.
ISSN: ISSN 0006-3002
PubMed: 18502213
DOI: 10.1016/J.BBAPAP.2008.04.024