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Iron in PDB 1gn2: S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis.

Enzymatic activity of S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis.

All present enzymatic activity of S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis.:
1.15.1.1;

Protein crystallography data

The structure of S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis., PDB code: 1gn2 was solved by K.A.Bunting, J.B.Cooper, I.J.Tickle, D.B.Young, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21 / 3.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 103.080, 106.330, 76.100, 90.00, 92.37, 90.00
R / Rfree (%) n/a / n/a

Iron Binding Sites:

The binding sites of Iron atom in the S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis. (pdb code 1gn2). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis., PDB code: 1gn2:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 1gn2

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Iron binding site 1 out of 8 in the S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe999

b:2.4
occ:1.00
OD2 A:ASP160 2.0 2.4 1.0
NE2 A:HIS164 2.1 2.4 1.0
NE2 A:HIS76 2.3 2.4 1.0
NE2 A:HIS28 2.4 2.4 1.0
CG A:ASP160 3.0 2.4 1.0
CE1 A:HIS164 3.0 2.4 1.0
CE1 A:HIS76 3.1 2.4 1.0
CD2 A:HIS164 3.2 2.4 1.0
CE1 A:HIS28 3.2 2.4 1.0
CD2 A:HIS76 3.3 2.4 1.0
OD1 A:ASP160 3.4 2.4 1.0
CD2 A:HIS28 3.4 2.4 1.0
ND1 A:HIS164 4.2 2.4 1.0
CB A:ASP160 4.2 2.4 1.0
ND1 A:HIS76 4.3 2.4 1.0
CG A:HIS164 4.3 2.4 1.0
CZ2 A:TRP125 4.4 2.4 1.0
CG A:HIS76 4.4 2.4 1.0
ND1 A:HIS28 4.4 2.4 1.0
CG A:HIS28 4.5 2.4 1.0
CB A:TRP162 4.6 2.4 1.0
CG A:TRP162 4.8 2.4 1.0
CH2 A:TRP125 4.9 2.4 1.0
CB A:ALA165 4.9 2.4 1.0

Iron binding site 2 out of 8 in 1gn2

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Iron binding site 2 out of 8 in the S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe999

b:2.4
occ:1.00
OD2 B:ASP160 2.0 2.4 1.0
NE2 B:HIS164 2.1 2.4 1.0
NE2 B:HIS76 2.3 2.4 1.0
NE2 B:HIS28 2.4 2.4 1.0
CG B:ASP160 3.0 2.4 1.0
CE1 B:HIS164 3.0 2.4 1.0
CE1 B:HIS76 3.1 2.4 1.0
CD2 B:HIS164 3.2 2.4 1.0
CE1 B:HIS28 3.2 2.4 1.0
CD2 B:HIS76 3.3 2.4 1.0
OD1 B:ASP160 3.4 2.4 1.0
CD2 B:HIS28 3.4 2.4 1.0
ND1 B:HIS164 4.2 2.4 1.0
CB B:ASP160 4.2 2.4 1.0
ND1 B:HIS76 4.3 2.4 1.0
CG B:HIS164 4.3 2.4 1.0
CZ2 B:TRP125 4.4 2.4 1.0
CG B:HIS76 4.4 2.4 1.0
ND1 B:HIS28 4.4 2.4 1.0
CG B:HIS28 4.5 2.4 1.0
CB B:TRP162 4.6 2.4 1.0
CG B:TRP162 4.8 2.4 1.0
CH2 B:TRP125 4.9 2.4 1.0
CB B:ALA165 4.9 2.4 1.0

Iron binding site 3 out of 8 in 1gn2

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Iron binding site 3 out of 8 in the S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe999

b:2.4
occ:1.00
OD2 C:ASP160 2.0 2.4 1.0
NE2 C:HIS164 2.1 2.4 1.0
NE2 C:HIS76 2.3 2.4 1.0
NE2 C:HIS28 2.4 2.4 1.0
CG C:ASP160 3.0 2.4 1.0
CE1 C:HIS164 3.0 2.4 1.0
CE1 C:HIS76 3.1 2.4 1.0
CD2 C:HIS164 3.2 2.4 1.0
CE1 C:HIS28 3.2 2.4 1.0
CD2 C:HIS76 3.3 2.4 1.0
OD1 C:ASP160 3.3 2.4 1.0
CD2 C:HIS28 3.4 2.4 1.0
ND1 C:HIS164 4.2 2.4 1.0
CB C:ASP160 4.2 2.4 1.0
ND1 C:HIS76 4.3 2.4 1.0
CG C:HIS164 4.3 2.4 1.0
CZ2 C:TRP125 4.4 2.4 1.0
CG C:HIS76 4.4 2.4 1.0
ND1 C:HIS28 4.4 2.4 1.0
CG C:HIS28 4.5 2.4 1.0
CB C:TRP162 4.6 2.4 1.0
CG C:TRP162 4.8 2.4 1.0
CH2 C:TRP125 4.9 2.4 1.0
CB C:ALA165 4.9 2.4 1.0

Iron binding site 4 out of 8 in 1gn2

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Iron binding site 4 out of 8 in the S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe999

b:2.4
occ:1.00
OD2 D:ASP160 2.0 2.4 1.0
NE2 D:HIS164 2.1 2.4 1.0
NE2 D:HIS76 2.3 2.4 1.0
NE2 D:HIS28 2.4 2.4 1.0
CG D:ASP160 3.0 2.4 1.0
CE1 D:HIS164 3.0 2.4 1.0
CE1 D:HIS76 3.1 2.4 1.0
CD2 D:HIS164 3.2 2.4 1.0
CE1 D:HIS28 3.2 2.4 1.0
CD2 D:HIS76 3.3 2.4 1.0
OD1 D:ASP160 3.4 2.4 1.0
CD2 D:HIS28 3.4 2.4 1.0
ND1 D:HIS164 4.2 2.4 1.0
CB D:ASP160 4.2 2.4 1.0
ND1 D:HIS76 4.3 2.4 1.0
CG D:HIS164 4.3 2.4 1.0
CZ2 D:TRP125 4.4 2.4 1.0
CG D:HIS76 4.4 2.4 1.0
ND1 D:HIS28 4.4 2.4 1.0
CG D:HIS28 4.5 2.4 1.0
CB D:TRP162 4.6 2.4 1.0
CG D:TRP162 4.8 2.4 1.0
CH2 D:TRP125 4.9 2.4 1.0
CB D:ALA165 4.9 2.4 1.0

Iron binding site 5 out of 8 in 1gn2

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Iron binding site 5 out of 8 in the S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe999

b:2.4
occ:1.00
OD2 E:ASP160 2.0 2.4 1.0
NE2 E:HIS164 2.1 2.4 1.0
NE2 E:HIS76 2.3 2.4 1.0
NE2 E:HIS28 2.4 2.4 1.0
CG E:ASP160 3.0 2.4 1.0
CE1 E:HIS164 3.0 2.4 1.0
CE1 E:HIS76 3.1 2.4 1.0
CD2 E:HIS164 3.2 2.4 1.0
CE1 E:HIS28 3.2 2.4 1.0
CD2 E:HIS76 3.3 2.4 1.0
OD1 E:ASP160 3.4 2.4 1.0
CD2 E:HIS28 3.4 2.4 1.0
ND1 E:HIS164 4.2 2.4 1.0
CB E:ASP160 4.2 2.4 1.0
ND1 E:HIS76 4.3 2.4 1.0
CG E:HIS164 4.3 2.4 1.0
CZ2 E:TRP125 4.4 2.4 1.0
CG E:HIS76 4.4 2.4 1.0
ND1 E:HIS28 4.4 2.4 1.0
CG E:HIS28 4.5 2.4 1.0
CB E:TRP162 4.6 2.4 1.0
CG E:TRP162 4.8 2.4 1.0
CH2 E:TRP125 4.9 2.4 1.0
CB E:ALA165 4.9 2.4 1.0

Iron binding site 6 out of 8 in 1gn2

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Iron binding site 6 out of 8 in the S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis. within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe999

b:2.4
occ:1.00
OD2 F:ASP160 2.0 2.4 1.0
NE2 F:HIS164 2.1 2.4 1.0
NE2 F:HIS76 2.3 2.4 1.0
NE2 F:HIS28 2.4 2.4 1.0
CG F:ASP160 3.0 2.4 1.0
CE1 F:HIS164 3.0 2.4 1.0
CE1 F:HIS76 3.1 2.4 1.0
CD2 F:HIS164 3.2 2.4 1.0
CE1 F:HIS28 3.2 2.4 1.0
CD2 F:HIS76 3.3 2.4 1.0
OD1 F:ASP160 3.3 2.4 1.0
CD2 F:HIS28 3.4 2.4 1.0
ND1 F:HIS164 4.2 2.4 1.0
CB F:ASP160 4.2 2.4 1.0
ND1 F:HIS76 4.3 2.4 1.0
CG F:HIS164 4.3 2.4 1.0
CZ2 F:TRP125 4.4 2.4 1.0
CG F:HIS76 4.4 2.4 1.0
ND1 F:HIS28 4.4 2.4 1.0
CG F:HIS28 4.5 2.4 1.0
CB F:TRP162 4.6 2.4 1.0
CG F:TRP162 4.8 2.4 1.0
CH2 F:TRP125 4.9 2.4 1.0
CB F:ALA165 4.9 2.4 1.0

Iron binding site 7 out of 8 in 1gn2

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Iron binding site 7 out of 8 in the S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis. within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Fe999

b:2.4
occ:1.00
OD2 G:ASP160 2.0 2.4 1.0
NE2 G:HIS164 2.1 2.4 1.0
NE2 G:HIS76 2.3 2.4 1.0
NE2 G:HIS28 2.4 2.4 1.0
CG G:ASP160 3.0 2.4 1.0
CE1 G:HIS164 3.0 2.4 1.0
CE1 G:HIS76 3.1 2.4 1.0
CD2 G:HIS164 3.2 2.4 1.0
CE1 G:HIS28 3.2 2.4 1.0
CD2 G:HIS76 3.3 2.4 1.0
OD1 G:ASP160 3.4 2.4 1.0
CD2 G:HIS28 3.4 2.4 1.0
ND1 G:HIS164 4.2 2.4 1.0
CB G:ASP160 4.2 2.4 1.0
ND1 G:HIS76 4.3 2.4 1.0
CG G:HIS164 4.3 2.4 1.0
CZ2 G:TRP125 4.4 2.4 1.0
CG G:HIS76 4.4 2.4 1.0
ND1 G:HIS28 4.4 2.4 1.0
CG G:HIS28 4.5 2.4 1.0
CB G:TRP162 4.6 2.4 1.0
CG G:TRP162 4.8 2.4 1.0
CH2 G:TRP125 4.9 2.4 1.0
CB G:ALA165 4.9 2.4 1.0

Iron binding site 8 out of 8 in 1gn2

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Iron binding site 8 out of 8 in the S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of S123C Mutant of the Iron-Superoxide Dismutase From Mycobacterium Tuberculosis. within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Fe999

b:2.4
occ:1.00
OD2 H:ASP160 2.0 2.4 1.0
NE2 H:HIS164 2.1 2.4 1.0
NE2 H:HIS76 2.3 2.4 1.0
NE2 H:HIS28 2.4 2.4 1.0
CG H:ASP160 3.0 2.4 1.0
CE1 H:HIS164 3.0 2.4 1.0
CE1 H:HIS76 3.1 2.4 1.0
CD2 H:HIS164 3.2 2.4 1.0
CE1 H:HIS28 3.2 2.4 1.0
CD2 H:HIS76 3.3 2.4 1.0
OD1 H:ASP160 3.4 2.4 1.0
CD2 H:HIS28 3.4 2.4 1.0
ND1 H:HIS164 4.2 2.4 1.0
CB H:ASP160 4.2 2.4 1.0
ND1 H:HIS76 4.3 2.4 1.0
CG H:HIS164 4.3 2.4 1.0
CZ2 H:TRP125 4.4 2.4 1.0
CG H:HIS76 4.4 2.4 1.0
ND1 H:HIS28 4.4 2.4 1.0
CG H:HIS28 4.5 2.4 1.0
CB H:TRP162 4.6 2.4 1.0
CG H:TRP162 4.8 2.4 1.0
CH2 H:TRP125 4.9 2.4 1.0
CB H:ALA165 4.9 2.4 1.0

Reference:

K.A.Bunting, J.B.Cooper, I.J.Tickle, D.B.Young. Engineering of An Intersubunit Disulfide Bridge in the Iron-Superoxide Dismutase of Mycobacterium Tuberculosis. Arch.Biochem.Biophys. V. 397 69 2002.
ISSN: ISSN 0003-9861
PubMed: 11747311
DOI: 10.1006/ABBI.2001.2635
Page generated: Wed Jul 16 15:00:37 2025

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