Iron in PDB 1gn3: H145Q Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase.

All present enzymatic activity of H145Q Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase.:
1.15.1.1;

The structure of H145Q Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase., PDB code: 1gn3 was solved by K.A.Bunting, J.B.Cooper, M.O.Badasso, I.J.Tickle, M.Newton, S.P.Wood, Y.Zhang, D.B.Young, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 4.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	103.880, 103.880, 69.920, 90.00, 90.00, 120.00
R / Rfree (%)	16.8 / 18.4

The binding sites of Iron atom in the H145Q Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase. (pdb code 1gn3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the H145Q Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase., PDB code: 1gn3:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the H145Q Mutant of Mycobacterium Tuberculosis 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 H145Q Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1200 b:0.0 occ:1.00 OD2 A:ASP160 2.0 0.0 1.0 NE2 A:HIS76 2.0 7.0 1.0 NE2 A:HIS164 2.0 0.9 1.0 NE2 A:HIS28 2.2 0.0 1.0 CE1 A:HIS164 2.7 8.4 1.0 CG A:ASP160 2.8 19.4 1.0 OD1 A:ASP160 2.8 15.9 1.0 CE1 A:HIS76 2.9 33.1 1.0 CD2 A:HIS76 3.0 7.2 1.0 CE1 A:HIS28 3.1 4.9 1.0 CD2 A:HIS164 3.3 0.0 1.0 CD2 A:HIS28 3.3 1.4 1.0 ND1 A:HIS164 3.9 2.8 1.0 ND1 A:HIS76 4.0 7.9 1.0 CG A:HIS76 4.1 0.0 1.0 CB A:ASP160 4.2 2.4 1.0 CG A:HIS164 4.2 0.0 1.0 ND1 A:HIS28 4.3 12.7 1.0 CB A:TRP162 4.3 0.0 1.0 CZ2 A:TRP125 4.3 0.0 1.0 CG A:HIS28 4.4 12.9 1.0 CG A:TRP162 4.4 1.2 1.0 CD1 A:TRP162 4.6 4.7 1.0 NE2 A:GLN145 4.6 2.9 1.0 CH2 A:TRP125 4.8 0.0 1.0 CB A:ALA165 4.9 0.0 1.0

Iron binding site 2 out of 2 in the H145Q Mutant of Mycobacterium Tuberculosis 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 H145Q Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1200 b:0.0 occ:1.00 OD2 B:ASP160 2.0 0.0 1.0 NE2 B:HIS76 2.0 7.0 1.0 NE2 B:HIS164 2.0 0.9 1.0 NE2 B:HIS28 2.2 0.0 1.0 CE1 B:HIS164 2.7 8.4 1.0 CG B:ASP160 2.8 19.4 1.0 OD1 B:ASP160 2.8 15.9 1.0 CE1 B:HIS76 2.9 33.1 1.0 CD2 B:HIS76 3.0 7.2 1.0 CE1 B:HIS28 3.1 4.9 1.0 CD2 B:HIS164 3.3 0.0 1.0 CD2 B:HIS28 3.3 1.4 1.0 ND1 B:HIS164 3.9 2.8 1.0 ND1 B:HIS76 4.0 7.9 1.0 CG B:HIS76 4.1 0.0 1.0 CB B:ASP160 4.2 2.4 1.0 CG B:HIS164 4.2 0.0 1.0 ND1 B:HIS28 4.3 12.7 1.0 CB B:TRP162 4.3 0.0 1.0 CZ2 B:TRP125 4.3 0.0 1.0 CG B:HIS28 4.4 12.9 1.0 CG B:TRP162 4.4 1.2 1.0 CD1 B:TRP162 4.6 4.7 1.0 NE2 B:GLN145 4.6 2.9 1.0 CH2 B:TRP125 4.8 0.0 1.0 CB B:ALA165 4.9 0.0 1.0

K.A.Bunting, J.B.Cooper, M.O.Badasso, I.J.Tickle, M.Newton, S.P.Wood, D.B.Young. Engineering A Change in the Metal-Ion Specificity of the Iron-Depedent Superoxide Dismutase From Mycobacterium Tuberculosis. X-Ray Structure Analysis of Site-Directed Mutants. Eur.J.Biochem. V. 251 795 1998.
ISSN: ISSN 0014-2956
PubMed: 9490054
DOI: 10.1046/J.1432-1327.1998.2510795.X