Iron in PDB 3tqj: Structure of the Superoxide Dismutase (Fe) (Sodb) From Coxiella Burnetii

All present enzymatic activity of Structure of the Superoxide Dismutase (Fe) (Sodb) From Coxiella Burnetii:
1.15.1.1;

The structure of Structure of the Superoxide Dismutase (Fe) (Sodb) From Coxiella Burnetii, PDB code: 3tqj was solved by M.C.Franklin, J.Cheung, M.Cassidy, J.Love, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.15 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.102, 65.285, 110.069, 90.00, 90.00, 90.00
R / Rfree (%)	23.3 / 27.1

The binding sites of Iron atom in the Structure of the Superoxide Dismutase (Fe) (Sodb) From Coxiella Burnetii (pdb code 3tqj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of the Superoxide Dismutase (Fe) (Sodb) From Coxiella Burnetii, PDB code: 3tqj:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of the Superoxide Dismutase (Fe) (Sodb) From Coxiella Burnetii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Superoxide Dismutase (Fe) (Sodb) From Coxiella Burnetii within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:15.9 occ:1.00 OD2 A:ASP157 1.9 15.3 1.0 NE2 A:HIS161 2.1 15.6 1.0 NE2 A:HIS74 2.1 16.9 1.0 NE2 A:HIS27 2.2 13.6 1.0 O A:HOH404 2.2 16.6 1.0 CD2 A:HIS74 3.0 16.6 1.0 CG A:ASP157 3.0 15.1 1.0 CE1 A:HIS27 3.1 13.7 1.0 CD2 A:HIS161 3.1 15.2 1.0 CE1 A:HIS161 3.1 15.5 1.0 CD2 A:HIS27 3.1 14.0 1.0 CE1 A:HIS74 3.2 16.9 1.0 OD1 A:ASP157 3.6 14.1 1.0 CH2 A:TRP123 4.2 14.3 1.0 CG A:HIS74 4.2 17.6 1.0 ND1 A:HIS27 4.2 14.1 1.0 ND1 A:HIS74 4.2 17.8 1.0 ND1 A:HIS161 4.2 15.6 1.0 CB A:ASP157 4.2 15.2 1.0 CG A:HIS161 4.3 14.6 1.0 CG A:HIS27 4.3 14.3 1.0 CZ2 A:TRP123 4.4 14.1 1.0 CB A:TRP159 4.5 15.2 1.0 CG A:TRP159 4.7 15.7 1.0 NE2 A:GLN70 4.9 19.7 1.0 CD1 A:TRP159 5.0 16.6 1.0

Iron binding site 2 out of 2 in the Structure of the Superoxide Dismutase (Fe) (Sodb) From Coxiella Burnetii


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Superoxide Dismutase (Fe) (Sodb) From Coxiella Burnetii within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1001 b:16.8 occ:1.00 OD2 B:ASP157 1.9 16.0 1.0 NE2 B:HIS161 2.1 15.8 1.0 NE2 B:HIS27 2.1 15.1 1.0 NE2 B:HIS74 2.1 15.8 1.0 O B:HOH355 2.2 12.4 1.0 CG B:ASP157 3.1 16.4 1.0 CD2 B:HIS161 3.1 14.9 1.0 CE1 B:HIS74 3.1 16.3 1.0 CE1 B:HIS27 3.1 15.3 1.0 CD2 B:HIS74 3.1 15.4 1.0 CD2 B:HIS27 3.1 15.6 1.0 CE1 B:HIS161 3.2 16.2 1.0 OD1 B:ASP157 3.6 14.9 1.0 ND1 B:HIS74 4.2 16.1 1.0 ND1 B:HIS27 4.2 15.2 1.0 CG B:HIS74 4.2 16.4 1.0 CG B:HIS27 4.2 15.2 1.0 CG B:HIS161 4.2 15.1 1.0 ND1 B:HIS161 4.2 16.2 1.0 CB B:ASP157 4.3 16.5 1.0 CH2 B:TRP123 4.3 16.5 1.0 CZ2 B:TRP123 4.4 16.7 1.0 CB B:TRP159 4.5 17.0 1.0 CG B:TRP159 4.7 17.8 1.0 NE2 B:GLN70 4.9 18.1 1.0 CD1 B:TRP159 5.0 18.6 1.0

M.C.Franklin, J.Cheung, M.J.Rudolph, F.Burshteyn, M.Cassidy, E.Gary, B.Hillerich, Z.K.Yao, P.R.Carlier, M.Totrov, J.D.Love. Structural Genomics For Drug Design Against the Pathogen Coxiella Burnetii. Proteins V. 83 2124 2015.
ISSN: ISSN 0887-3585
PubMed: 26033498
DOI: 10.1002/PROT.24841