Iron in PDB 4l2c: X-Ray Structure of the C57R Mutant of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form I)
Enzymatic activity of X-Ray Structure of the C57R Mutant of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form I)
All present enzymatic activity of X-Ray Structure of the C57R Mutant of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form I):
1.15.1.1;
Protein crystallography data
The structure of X-Ray Structure of the C57R Mutant of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form I), PDB code: 4l2c
was solved by
I.Russo Krauss,
A.Merlino,
F.Sica,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.27 /
1.66
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
50.488,
103.768,
89.833,
90.00,
103.63,
90.00
|
R / Rfree (%)
|
20 /
24.5
|
Iron Binding Sites:
The binding sites of Iron atom in the X-Ray Structure of the C57R Mutant of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form I)
(pdb code 4l2c). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the
X-Ray Structure of the C57R Mutant of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form I), PDB code: 4l2c:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 4l2c
Go back to
Iron Binding Sites List in 4l2c
Iron binding site 1 out
of 4 in the X-Ray Structure of the C57R Mutant of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form I)
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of X-Ray Structure of the C57R Mutant of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form I) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe201
b:9.6
occ:1.00
|
OD2
|
A:ASP157
|
2.0
|
8.6
|
1.0
|
NE2
|
A:HIS26
|
2.1
|
3.6
|
1.0
|
NE2
|
A:HIS73
|
2.1
|
10.8
|
1.0
|
O
|
A:HOH350
|
2.2
|
7.9
|
1.0
|
NE2
|
A:HIS161
|
2.2
|
7.5
|
1.0
|
CE1
|
A:HIS26
|
2.8
|
5.8
|
1.0
|
CD2
|
A:HIS73
|
3.0
|
7.0
|
1.0
|
CD2
|
A:HIS161
|
3.0
|
6.9
|
1.0
|
CG
|
A:ASP157
|
3.1
|
8.9
|
1.0
|
CE1
|
A:HIS73
|
3.1
|
7.6
|
1.0
|
CD2
|
A:HIS26
|
3.2
|
8.6
|
1.0
|
CE1
|
A:HIS161
|
3.3
|
9.7
|
1.0
|
OD1
|
A:ASP157
|
3.5
|
9.5
|
1.0
|
ND1
|
A:HIS26
|
4.0
|
7.3
|
1.0
|
CG
|
A:HIS73
|
4.2
|
6.6
|
1.0
|
ND1
|
A:HIS73
|
4.2
|
8.8
|
1.0
|
CG
|
A:HIS26
|
4.2
|
6.3
|
1.0
|
CH2
|
A:TRP122
|
4.2
|
8.1
|
1.0
|
CG
|
A:HIS161
|
4.3
|
8.1
|
1.0
|
CB
|
A:ASP157
|
4.3
|
7.6
|
1.0
|
ND1
|
A:HIS161
|
4.4
|
7.7
|
1.0
|
CZ2
|
A:TRP122
|
4.4
|
6.9
|
1.0
|
CB
|
A:TRP159
|
4.5
|
6.9
|
1.0
|
CG
|
A:TRP159
|
4.7
|
7.5
|
1.0
|
CB
|
A:ALA162
|
4.9
|
10.6
|
1.0
|
|
Iron binding site 2 out
of 4 in 4l2c
Go back to
Iron Binding Sites List in 4l2c
Iron binding site 2 out
of 4 in the X-Ray Structure of the C57R Mutant of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form I)
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of X-Ray Structure of the C57R Mutant of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form I) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe5001
b:9.9
occ:1.00
|
OD2
|
B:ASP157
|
2.0
|
8.8
|
1.0
|
NE2
|
B:HIS73
|
2.1
|
6.8
|
1.0
|
O
|
B:HOH5195
|
2.1
|
9.3
|
1.0
|
NE2
|
B:HIS161
|
2.1
|
8.0
|
1.0
|
NE2
|
B:HIS26
|
2.2
|
6.6
|
1.0
|
CE1
|
B:HIS73
|
3.0
|
7.1
|
1.0
|
CE1
|
B:HIS26
|
3.0
|
10.2
|
1.0
|
CD2
|
B:HIS73
|
3.0
|
8.7
|
1.0
|
CD2
|
B:HIS161
|
3.1
|
9.2
|
1.0
|
CG
|
B:ASP157
|
3.1
|
6.7
|
1.0
|
CE1
|
B:HIS161
|
3.2
|
10.4
|
1.0
|
CD2
|
B:HIS26
|
3.2
|
6.9
|
1.0
|
OD1
|
B:ASP157
|
3.5
|
7.9
|
1.0
|
ND1
|
B:HIS73
|
4.1
|
6.0
|
1.0
|
CG
|
B:HIS73
|
4.2
|
7.5
|
1.0
|
ND1
|
B:HIS26
|
4.2
|
7.7
|
1.0
|
CG
|
B:HIS161
|
4.3
|
9.2
|
1.0
|
ND1
|
B:HIS161
|
4.3
|
7.1
|
1.0
|
CG
|
B:HIS26
|
4.3
|
8.0
|
1.0
|
CH2
|
B:TRP122
|
4.3
|
8.2
|
1.0
|
CB
|
B:ASP157
|
4.4
|
6.4
|
1.0
|
CZ2
|
B:TRP122
|
4.5
|
6.9
|
1.0
|
CB
|
B:TRP159
|
4.6
|
7.5
|
1.0
|
CG
|
B:TRP159
|
4.8
|
6.8
|
1.0
|
CB
|
B:ALA162
|
5.0
|
8.2
|
1.0
|
|
Iron binding site 3 out
of 4 in 4l2c
Go back to
Iron Binding Sites List in 4l2c
Iron binding site 3 out
of 4 in the X-Ray Structure of the C57R Mutant of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form I)
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of X-Ray Structure of the C57R Mutant of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form I) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe201
b:15.2
occ:1.00
|
OD2
|
C:ASP157
|
2.0
|
17.4
|
1.0
|
NE2
|
C:HIS161
|
2.0
|
11.0
|
1.0
|
NE2
|
C:HIS26
|
2.1
|
10.2
|
1.0
|
NE2
|
C:HIS73
|
2.1
|
11.9
|
1.0
|
O
|
C:HOH385
|
2.3
|
11.2
|
1.0
|
CE1
|
C:HIS73
|
3.0
|
13.5
|
1.0
|
CD2
|
C:HIS26
|
3.0
|
12.8
|
1.0
|
CE1
|
C:HIS161
|
3.0
|
10.2
|
1.0
|
CD2
|
C:HIS161
|
3.0
|
13.9
|
1.0
|
CG
|
C:ASP157
|
3.1
|
14.0
|
1.0
|
CE1
|
C:HIS26
|
3.1
|
12.4
|
1.0
|
CD2
|
C:HIS73
|
3.1
|
14.4
|
1.0
|
OD1
|
C:ASP157
|
3.5
|
17.1
|
1.0
|
ND1
|
C:HIS73
|
4.1
|
11.4
|
1.0
|
ND1
|
C:HIS161
|
4.1
|
12.9
|
1.0
|
ND1
|
C:HIS26
|
4.2
|
11.9
|
1.0
|
CG
|
C:HIS161
|
4.2
|
9.0
|
1.0
|
CG
|
C:HIS26
|
4.2
|
12.2
|
1.0
|
CG
|
C:HIS73
|
4.2
|
10.5
|
1.0
|
CB
|
C:TRP159
|
4.3
|
15.2
|
1.0
|
CH2
|
C:TRP122
|
4.3
|
9.5
|
1.0
|
CB
|
C:ASP157
|
4.3
|
14.4
|
1.0
|
CZ2
|
C:TRP122
|
4.5
|
10.7
|
1.0
|
CG
|
C:TRP159
|
4.6
|
13.5
|
1.0
|
CD1
|
C:TRP159
|
4.9
|
14.5
|
1.0
|
CB
|
C:ALA162
|
5.0
|
13.9
|
1.0
|
|
Iron binding site 4 out
of 4 in 4l2c
Go back to
Iron Binding Sites List in 4l2c
Iron binding site 4 out
of 4 in the X-Ray Structure of the C57R Mutant of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form I)
 Mono view
 Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of X-Ray Structure of the C57R Mutant of the Iron Superoxide Dismutase From Pseudoalteromonas Haloplanktis (Crystal Form I) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe201
b:13.6
occ:1.00
|
OD2
|
D:ASP157
|
1.9
|
13.0
|
1.0
|
O
|
D:HOH385
|
2.1
|
4.6
|
1.0
|
NE2
|
D:HIS73
|
2.1
|
16.3
|
1.0
|
NE2
|
D:HIS26
|
2.1
|
11.1
|
1.0
|
NE2
|
D:HIS161
|
2.2
|
14.1
|
1.0
|
CE1
|
D:HIS26
|
2.9
|
12.7
|
1.0
|
CG
|
D:ASP157
|
3.0
|
11.8
|
1.0
|
CD2
|
D:HIS73
|
3.0
|
14.2
|
1.0
|
CE1
|
D:HIS73
|
3.1
|
13.9
|
1.0
|
CD2
|
D:HIS161
|
3.1
|
11.9
|
1.0
|
CD2
|
D:HIS26
|
3.2
|
14.4
|
1.0
|
CE1
|
D:HIS161
|
3.3
|
14.2
|
1.0
|
OD1
|
D:ASP157
|
3.4
|
10.6
|
1.0
|
CH2
|
D:TRP122
|
4.1
|
12.5
|
1.0
|
ND1
|
D:HIS73
|
4.2
|
14.5
|
1.0
|
ND1
|
D:HIS26
|
4.2
|
16.1
|
1.0
|
CG
|
D:HIS73
|
4.2
|
13.4
|
1.0
|
CB
|
D:ASP157
|
4.3
|
10.8
|
1.0
|
CG
|
D:HIS26
|
4.3
|
12.5
|
1.0
|
CG
|
D:HIS161
|
4.3
|
13.8
|
1.0
|
ND1
|
D:HIS161
|
4.4
|
14.5
|
1.0
|
CZ2
|
D:TRP122
|
4.4
|
11.9
|
1.0
|
CB
|
D:TRP159
|
4.5
|
11.6
|
1.0
|
CB
|
D:ALA162
|
4.8
|
8.3
|
1.0
|
CG
|
D:TRP159
|
4.8
|
11.0
|
1.0
|
CZ3
|
D:TRP122
|
5.0
|
13.2
|
1.0
|
|
Reference:
A.Merlino,
I.Russo Krauss,
I.Castellano,
M.R.Ruocco,
A.Capasso,
E.De Vendittis,
B.Rossi,
F.Sica.
Structural and Denaturation Studies of Two Mutants of A Cold Adapted Superoxide Dismutase Point to the Importance of Electrostatic Interactions in Protein Stability. Biochim.Biophys.Acta V.1844 632 2014.
ISSN: ISSN 0006-3002
PubMed: 24440460
DOI: 10.1016/J.BBAPAP.2014.01.007
Page generated: Mon Aug 5 06:02:47 2024
|