Manganese in PDB 1gn4: H145E Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase.

All present enzymatic activity of H145E Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase.:
1.15.1.1;

The structure of H145E Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase., PDB code: 1gn4 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 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	107.660, 102.860, 73.940, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Manganese atom in the H145E Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase. (pdb code 1gn4). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the H145E Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase., PDB code: 1gn4:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the H145E Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of H145E Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1200 b:13.3 occ:1.00 OD2 A:ASP160 2.0 1.3 1.0 NE2 A:HIS164 2.2 2.0 1.0 O A:HOH2070 2.2 16.5 1.0 NE2 A:HIS28 2.3 14.1 1.0 NE2 A:HIS76 2.4 5.1 1.0 CG A:ASP160 3.1 43.5 1.0 CE1 A:HIS164 3.2 16.6 1.0 CD2 A:HIS164 3.2 15.9 1.0 CE1 A:HIS76 3.2 0.9 1.0 CE1 A:HIS28 3.3 18.1 1.0 CD2 A:HIS28 3.3 28.6 1.0 CD2 A:HIS76 3.4 29.4 1.0 OD1 A:ASP160 3.6 17.0 1.0 ND1 A:HIS164 4.3 12.4 1.0 CG A:HIS164 4.3 13.7 1.0 ND1 A:HIS76 4.4 15.6 1.0 CB A:TRP162 4.4 11.3 1.0 ND1 A:HIS28 4.4 3.2 1.0 CB A:ASP160 4.4 0.0 1.0 CG A:HIS28 4.5 31.7 1.0 CG A:HIS76 4.5 8.8 1.0 CZ2 A:TRP125 4.5 31.3 1.0 CG A:TRP162 4.6 19.7 1.0 OE2 A:GLU145 4.7 2.7 1.0

Manganese binding site 2 out of 4 in the H145E Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of H145E Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1200 b:17.9 occ:1.00 OD2 B:ASP160 2.0 1.5 1.0 O B:HOH2081 2.0 23.2 1.0 NE2 B:HIS164 2.1 6.0 1.0 NE2 B:HIS28 2.3 7.2 1.0 NE2 B:HIS76 2.4 8.1 1.0 CG B:ASP160 3.0 62.5 1.0 CD2 B:HIS164 3.0 16.2 1.0 CE1 B:HIS28 3.1 36.2 1.0 CE1 B:HIS164 3.2 10.8 1.0 CE1 B:HIS76 3.2 89.2 1.0 OD1 B:ASP160 3.2 30.4 1.0 CD2 B:HIS28 3.3 22.5 1.0 CD2 B:HIS76 3.5 24.6 1.0 CG B:HIS164 4.2 17.9 1.0 ND1 B:HIS164 4.3 21.9 1.0 ND1 B:HIS28 4.3 13.9 1.0 CB B:ASP160 4.3 0.0 1.0 ND1 B:HIS76 4.4 29.4 1.0 CG B:HIS28 4.4 25.2 1.0 CB B:TRP162 4.5 7.3 1.0 CG B:HIS76 4.5 6.3 1.0 CZ2 B:TRP125 4.6 14.5 1.0 CG B:TRP162 4.7 12.8 1.0 OE2 B:GLU145 4.7 25.0 1.0 CB B:ALA165 4.8 1.7 1.0

Manganese binding site 3 out of 4 in the H145E Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of H145E Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn1200 b:18.3 occ:1.00 O C:HOH2069 1.9 14.0 1.0 OD2 C:ASP160 2.0 0.0 1.0 NE2 C:HIS76 2.1 3.7 1.0 NE2 C:HIS28 2.3 1.7 1.0 NE2 C:HIS164 2.3 18.7 1.0 CE1 C:HIS76 3.0 31.8 1.0 CG C:ASP160 3.1 55.8 1.0 CD2 C:HIS76 3.2 18.2 1.0 CE1 C:HIS164 3.2 4.7 1.0 CE1 C:HIS28 3.2 37.0 1.0 CD2 C:HIS28 3.4 42.8 1.0 CD2 C:HIS164 3.4 33.6 1.0 OD1 C:ASP160 3.6 10.6 1.0 ND1 C:HIS76 4.2 7.8 1.0 CG C:HIS76 4.3 5.9 1.0 CB C:ASP160 4.3 0.0 1.0 ND1 C:HIS164 4.4 39.3 1.0 ND1 C:HIS28 4.4 6.5 1.0 CZ2 C:TRP125 4.5 17.1 1.0 CG C:HIS28 4.5 19.9 1.0 CG C:HIS164 4.5 19.3 1.0 CB C:TRP162 4.6 1.8 1.0 OE2 C:GLU145 4.7 15.6 1.0 CG C:TRP162 4.8 13.0 1.0 CB C:ALA165 4.9 0.0 1.0 CH2 C:TRP125 5.0 3.2 1.0

Manganese binding site 4 out of 4 in the H145E Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of H145E Mutant of Mycobacterium Tuberculosis Iron-Superoxide Dismutase. within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn1200 b:18.2 occ:1.00 OD2 D:ASP160 2.0 9.4 1.0 O D:HOH2068 2.1 41.7 1.0 NE2 D:HIS76 2.2 0.5 1.0 NE2 D:HIS164 2.4 9.7 1.0 NE2 D:HIS28 2.5 13.9 1.0 CG D:ASP160 3.1 49.9 1.0 CD2 D:HIS76 3.1 12.7 1.0 CE1 D:HIS76 3.2 33.2 1.0 CE1 D:HIS164 3.2 4.6 1.0 OD1 D:ASP160 3.4 32.9 1.0 CE1 D:HIS28 3.4 31.3 1.0 CD2 D:HIS164 3.5 53.0 1.0 CD2 D:HIS28 3.6 22.7 1.0 ND1 D:HIS76 4.3 0.1 1.0 CG D:HIS76 4.3 16.4 1.0 CB D:ASP160 4.3 0.0 1.0 ND1 D:HIS164 4.4 37.4 1.0 CZ2 D:TRP125 4.4 67.7 1.0 CG D:HIS164 4.6 0.0 1.0 ND1 D:HIS28 4.6 2.3 1.0 CB D:TRP162 4.7 2.5 1.0 CG D:TRP162 4.7 3.5 1.0 CG D:HIS28 4.7 30.9 1.0 OE2 D:GLU145 4.8 2.9 1.0 CH2 D:TRP125 4.9 3.5 1.0 CB D:ALA165 5.0 4.0 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