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
Go back to
Iron Binding Sites List in 1gn2
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
Go back to
Iron Binding Sites List in 1gn2
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
Go back to
Iron Binding Sites List in 1gn2
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
Go back to
Iron Binding Sites List in 1gn2
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
Go back to
Iron Binding Sites List in 1gn2
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
Go back to
Iron Binding Sites List in 1gn2
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
Go back to
Iron Binding Sites List in 1gn2
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
Go back to
Iron Binding Sites List in 1gn2
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: Sat Aug 3 06:13:39 2024
|