Iron in PDB 1gn6: G152A Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase.

All present enzymatic activity of G152A Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase.:
1.15.1.1;

The structure of G152A Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase., PDB code: 1gn6 was solved by K.A.Bunting, J.B.Cooper, S.Saward, P.T.Erskine, M.O.Badasso, 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 / 2.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	68.700, 85.600, 66.700, 90.00, 99.80, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Iron atom in the G152A Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase. (pdb code 1gn6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the G152A Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase., PDB code: 1gn6:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the G152A 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 G152A Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe999 b:1.9 occ:1.00 O A:HOH2037 1.9 0.0 1.0 OD2 A:ASP160 2.0 0.9 1.0 NE2 A:HIS164 2.1 0.9 1.0 NE2 A:HIS76 2.2 0.6 1.0 NE2 A:HIS28 2.2 1.7 1.0 CG A:ASP160 3.0 11.8 1.0 CE1 A:HIS164 3.1 8.7 1.0 CE1 A:HIS76 3.1 15.2 1.0 CD2 A:HIS164 3.1 2.7 1.0 CE1 A:HIS28 3.2 0.5 1.0 CD2 A:HIS28 3.2 0.2 1.0 CD2 A:HIS76 3.3 14.3 1.0 OD1 A:ASP160 3.3 1.8 1.0 ND1 A:HIS164 4.2 0.0 1.0 ND1 A:HIS76 4.2 0.0 1.0 CG A:HIS164 4.3 1.5 1.0 ND1 A:HIS28 4.3 0.2 1.0 CB A:ASP160 4.3 0.0 1.0 CG A:HIS28 4.3 0.0 1.0 CG A:HIS76 4.4 0.2 1.0 CB A:TRP162 4.6 2.4 1.0 CZ2 A:TRP125 4.6 0.0 1.0 CH2 A:TRP125 4.8 0.0 1.0 CG A:TRP162 4.8 0.0 1.0 CB A:ALA165 4.9 0.0 1.0

Iron binding site 2 out of 4 in the G152A 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 G152A Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe999 b:1.9 occ:1.00 O B:HOH2038 1.9 0.0 1.0 OD2 B:ASP160 2.0 0.9 1.0 NE2 B:HIS164 2.1 0.9 1.0 NE2 B:HIS76 2.2 0.6 1.0 NE2 B:HIS28 2.2 1.7 1.0 CG B:ASP160 3.0 11.8 1.0 CE1 B:HIS164 3.1 8.7 1.0 CE1 B:HIS76 3.1 15.2 1.0 CD2 B:HIS164 3.1 2.7 1.0 CE1 B:HIS28 3.2 0.5 1.0 CD2 B:HIS28 3.2 0.2 1.0 CD2 B:HIS76 3.3 14.3 1.0 OD1 B:ASP160 3.3 1.8 1.0 ND1 B:HIS164 4.2 0.0 1.0 ND1 B:HIS76 4.2 0.0 1.0 CG B:HIS164 4.3 1.5 1.0 ND1 B:HIS28 4.3 0.2 1.0 CG B:HIS28 4.3 0.0 1.0 CB B:ASP160 4.3 0.0 1.0 CG B:HIS76 4.4 0.2 1.0 CB B:TRP162 4.6 2.4 1.0 CZ2 B:TRP125 4.6 0.0 1.0 CH2 B:TRP125 4.8 0.0 1.0 CG B:TRP162 4.8 0.0 1.0 CB B:ALA165 4.9 0.0 1.0

Iron binding site 3 out of 4 in the G152A 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 3 of G152A Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase. within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe999 b:1.9 occ:1.00 O C:HOH2038 1.9 0.0 1.0 OD2 C:ASP160 2.0 0.9 1.0 NE2 C:HIS164 2.1 0.9 1.0 NE2 C:HIS76 2.2 0.6 1.0 NE2 C:HIS28 2.2 1.7 1.0 CG C:ASP160 3.0 11.8 1.0 CE1 C:HIS164 3.1 8.7 1.0 CE1 C:HIS76 3.1 15.2 1.0 CD2 C:HIS164 3.1 2.7 1.0 CE1 C:HIS28 3.2 0.5 1.0 CD2 C:HIS28 3.2 0.2 1.0 CD2 C:HIS76 3.3 14.3 1.0 OD1 C:ASP160 3.3 1.8 1.0 ND1 C:HIS164 4.2 0.0 1.0 ND1 C:HIS76 4.2 0.0 1.0 CG C:HIS164 4.3 1.5 1.0 ND1 C:HIS28 4.3 0.2 1.0 CG C:HIS28 4.3 0.0 1.0 CB C:ASP160 4.3 0.0 1.0 CG C:HIS76 4.4 0.2 1.0 CB C:TRP162 4.6 2.4 1.0 CZ2 C:TRP125 4.6 0.0 1.0 CH2 C:TRP125 4.8 0.0 1.0 CG C:TRP162 4.8 0.0 1.0 CB C:ALA165 4.9 0.0 1.0

Iron binding site 4 out of 4 in the G152A 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 4 of G152A Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase. within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe999 b:1.9 occ:1.00 O D:HOH2039 1.9 0.0 1.0 OD2 D:ASP160 2.0 0.9 1.0 NE2 D:HIS164 2.1 0.9 1.0 NE2 D:HIS76 2.2 0.6 1.0 NE2 D:HIS28 2.2 1.7 1.0 CG D:ASP160 3.0 11.8 1.0 CE1 D:HIS164 3.1 8.7 1.0 CE1 D:HIS76 3.1 15.2 1.0 CD2 D:HIS164 3.1 2.7 1.0 CE1 D:HIS28 3.2 0.5 1.0 CD2 D:HIS28 3.2 0.2 1.0 CD2 D:HIS76 3.3 14.3 1.0 OD1 D:ASP160 3.3 1.8 1.0 ND1 D:HIS164 4.2 0.0 1.0 ND1 D:HIS76 4.2 0.0 1.0 CG D:HIS164 4.3 1.5 1.0 ND1 D:HIS28 4.3 0.2 1.0 CB D:ASP160 4.3 0.0 1.0 CG D:HIS28 4.3 0.0 1.0 CG D:HIS76 4.4 0.2 1.0 CB D:TRP162 4.6 2.4 1.0 CZ2 D:TRP125 4.6 0.0 1.0 CH2 D:TRP125 4.8 0.0 1.0 CG D:TRP162 4.8 0.0 1.0 CB D:ALA165 4.9 0.0 1.0

J.B.Cooper, S.Saward, P.T.Erskine, M.O.Badasso, S.P.Wood, Y.Zhang, D.B.Young. X-Ray Structure Analysis of An Engineered Fe-Superoxide Dismutase Gly-Ala Mutant with Significantly Reduced Stability to Denaturant Febs Lett. V. 387 105 1996.
ISSN: ISSN 0014-5793
PubMed: 8674528
DOI: 10.1016/0014-5793(96)00490-5