Iron in PDB 7z53: Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus
Protein crystallography data
The structure of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus, PDB code: 7z53
was solved by
V.Pfanzagl,
J.A.Brito,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
76.19 /
2.28
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
257.022,
157.196,
166.56,
90,
90,
90
|
R / Rfree (%)
|
17.4 /
22.9
|
Other elements in 7z53:
The structure of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus
(pdb code 7z53). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus, PDB code: 7z53:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 7z53
Go back to
Iron Binding Sites List in 7z53
Iron binding site 1 out
of 8 in the Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe3002
b:21.9
occ:1.00
|
FE
|
A:HEC3002
|
0.0
|
21.9
|
1.0
|
NC
|
A:HEC3002
|
2.0
|
25.6
|
1.0
|
ND
|
A:HEC3002
|
2.1
|
24.4
|
1.0
|
NB
|
A:HEC3002
|
2.1
|
21.4
|
1.0
|
NA
|
A:HEC3002
|
2.1
|
19.4
|
1.0
|
NE2
|
B:HIS502
|
2.2
|
23.2
|
1.0
|
C4C
|
A:HEC3002
|
3.0
|
24.7
|
1.0
|
C1C
|
A:HEC3002
|
3.0
|
24.8
|
1.0
|
C1D
|
A:HEC3002
|
3.0
|
19.4
|
1.0
|
CD2
|
B:HIS502
|
3.1
|
21.2
|
1.0
|
C4D
|
A:HEC3002
|
3.1
|
22.2
|
1.0
|
C1B
|
A:HEC3002
|
3.1
|
22.5
|
1.0
|
C4B
|
A:HEC3002
|
3.1
|
25.3
|
1.0
|
C1A
|
A:HEC3002
|
3.1
|
21.8
|
1.0
|
HD2
|
B:HIS502
|
3.1
|
25.5
|
1.0
|
C4A
|
A:HEC3002
|
3.1
|
21.8
|
1.0
|
O
|
A:HOH3123
|
3.2
|
34.3
|
1.0
|
CE1
|
B:HIS502
|
3.3
|
22.6
|
1.0
|
CHD
|
A:HEC3002
|
3.3
|
23.9
|
1.0
|
CHC
|
A:HEC3002
|
3.4
|
29.4
|
1.0
|
CHA
|
A:HEC3002
|
3.5
|
21.1
|
1.0
|
CHB
|
A:HEC3002
|
3.5
|
21.2
|
1.0
|
HE1
|
B:HIS502
|
3.6
|
27.1
|
1.0
|
HD21
|
B:LEU583
|
3.6
|
36.0
|
1.0
|
C3C
|
A:HEC3002
|
4.2
|
20.7
|
1.0
|
C2C
|
A:HEC3002
|
4.2
|
19.2
|
1.0
|
C2D
|
A:HEC3002
|
4.3
|
16.3
|
1.0
|
CG
|
B:HIS502
|
4.3
|
20.9
|
1.0
|
C2B
|
A:HEC3002
|
4.3
|
29.9
|
1.0
|
C3D
|
A:HEC3002
|
4.3
|
22.7
|
1.0
|
HHD
|
A:HEC3002
|
4.3
|
28.8
|
1.0
|
C3B
|
A:HEC3002
|
4.3
|
34.7
|
1.0
|
C2A
|
A:HEC3002
|
4.3
|
22.9
|
1.0
|
ND1
|
B:HIS502
|
4.4
|
23.5
|
1.0
|
HG3
|
A:GLN257
|
4.4
|
31.3
|
1.0
|
C3A
|
A:HEC3002
|
4.4
|
25.3
|
1.0
|
HHA
|
A:HEC3002
|
4.4
|
25.3
|
1.0
|
HD11
|
B:LEU583
|
4.4
|
22.8
|
1.0
|
HHC
|
A:HEC3002
|
4.4
|
35.4
|
1.0
|
HE21
|
A:GLN257
|
4.4
|
32.1
|
1.0
|
HHB
|
A:HEC3002
|
4.5
|
25.5
|
1.0
|
HG2
|
B:ARG499
|
4.5
|
27.9
|
1.0
|
CD2
|
B:LEU583
|
4.6
|
30.0
|
1.0
|
HA
|
B:ARG499
|
4.8
|
24.1
|
1.0
|
HD3
|
B:ARG499
|
4.8
|
20.8
|
1.0
|
HB3
|
B:ARG499
|
4.8
|
28.0
|
1.0
|
HD23
|
B:LEU583
|
4.9
|
36.0
|
1.0
|
NE2
|
A:GLN257
|
5.0
|
26.7
|
1.0
|
|
Iron binding site 2 out
of 8 in 7z53
Go back to
Iron Binding Sites List in 7z53
Iron binding site 2 out
of 8 in the Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe302
b:29.2
occ:1.00
|
FE
|
C:HEC302
|
0.0
|
29.2
|
1.0
|
NC
|
C:HEC302
|
2.0
|
32.9
|
1.0
|
ND
|
C:HEC302
|
2.1
|
29.8
|
1.0
|
NA
|
C:HEC302
|
2.1
|
27.2
|
1.0
|
NB
|
C:HEC302
|
2.1
|
33.9
|
1.0
|
NE2
|
D:HIS502
|
2.1
|
33.6
|
1.0
|
O
|
C:HOH422
|
2.6
|
36.1
|
1.0
|
C4C
|
C:HEC302
|
3.0
|
30.0
|
1.0
|
C1D
|
C:HEC302
|
3.0
|
27.3
|
1.0
|
CE1
|
D:HIS502
|
3.0
|
31.2
|
1.0
|
C4A
|
C:HEC302
|
3.1
|
32.9
|
1.0
|
C4D
|
C:HEC302
|
3.1
|
28.5
|
1.0
|
C1C
|
C:HEC302
|
3.1
|
34.6
|
1.0
|
C1A
|
C:HEC302
|
3.1
|
28.3
|
1.0
|
C1B
|
C:HEC302
|
3.1
|
34.4
|
1.0
|
HE1
|
D:HIS502
|
3.1
|
37.4
|
1.0
|
CD2
|
D:HIS502
|
3.2
|
28.0
|
1.0
|
C4B
|
C:HEC302
|
3.2
|
37.2
|
1.0
|
CHD
|
C:HEC302
|
3.3
|
29.9
|
1.0
|
HD2
|
D:HIS502
|
3.4
|
33.6
|
1.0
|
CHB
|
C:HEC302
|
3.5
|
33.9
|
1.0
|
CHA
|
C:HEC302
|
3.5
|
31.4
|
1.0
|
CHC
|
C:HEC302
|
3.5
|
34.3
|
1.0
|
HD21
|
D:LEU583
|
3.8
|
40.2
|
1.0
|
HG3
|
C:GLN257
|
4.1
|
42.0
|
1.0
|
ND1
|
D:HIS502
|
4.2
|
28.1
|
1.0
|
C3C
|
C:HEC302
|
4.2
|
29.2
|
1.0
|
C2D
|
C:HEC302
|
4.2
|
29.9
|
1.0
|
C2C
|
C:HEC302
|
4.3
|
32.4
|
1.0
|
CG
|
D:HIS502
|
4.3
|
29.1
|
1.0
|
HHD
|
C:HEC302
|
4.3
|
35.9
|
1.0
|
C3D
|
C:HEC302
|
4.3
|
25.8
|
1.0
|
C3A
|
C:HEC302
|
4.3
|
29.8
|
1.0
|
HE21
|
C:GLN257
|
4.3
|
47.3
|
1.0
|
C2A
|
C:HEC302
|
4.3
|
26.0
|
1.0
|
C2B
|
C:HEC302
|
4.3
|
39.5
|
1.0
|
C3B
|
C:HEC302
|
4.4
|
39.0
|
1.0
|
HG2
|
D:ARG499
|
4.4
|
28.7
|
1.0
|
HHA
|
C:HEC302
|
4.4
|
37.7
|
1.0
|
HHB
|
C:HEC302
|
4.4
|
40.7
|
1.0
|
HHC
|
C:HEC302
|
4.5
|
41.2
|
1.0
|
O
|
C:HOH427
|
4.5
|
44.2
|
1.0
|
HD11
|
D:LEU583
|
4.5
|
39.2
|
1.0
|
CD2
|
D:LEU583
|
4.7
|
33.5
|
1.0
|
HA
|
D:ARG499
|
4.8
|
30.1
|
1.0
|
NE2
|
C:GLN257
|
4.9
|
39.4
|
1.0
|
HD3
|
D:ARG499
|
4.9
|
27.6
|
1.0
|
HD1
|
D:HIS502
|
4.9
|
33.8
|
1.0
|
HD23
|
D:LEU583
|
5.0
|
40.2
|
1.0
|
|
Iron binding site 3 out
of 8 in 7z53
Go back to
Iron Binding Sites List in 7z53
Iron binding site 3 out
of 8 in the Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe302
b:33.1
occ:1.00
|
FE
|
G:HEC302
|
0.0
|
33.1
|
1.0
|
ND
|
G:HEC302
|
2.0
|
27.6
|
1.0
|
NB
|
G:HEC302
|
2.1
|
36.0
|
1.0
|
NE2
|
H:HIS502
|
2.1
|
26.6
|
1.0
|
NC
|
G:HEC302
|
2.1
|
36.1
|
1.0
|
NA
|
G:HEC302
|
2.1
|
34.9
|
1.0
|
CE1
|
H:HIS502
|
3.0
|
27.4
|
1.0
|
C4D
|
G:HEC302
|
3.0
|
27.1
|
1.0
|
C1A
|
G:HEC302
|
3.1
|
26.6
|
1.0
|
C1D
|
G:HEC302
|
3.1
|
32.5
|
1.0
|
C4C
|
G:HEC302
|
3.1
|
34.5
|
1.0
|
C4B
|
G:HEC302
|
3.1
|
40.5
|
1.0
|
C1C
|
G:HEC302
|
3.1
|
33.1
|
1.0
|
C1B
|
G:HEC302
|
3.1
|
41.5
|
1.0
|
HE1
|
H:HIS502
|
3.1
|
32.9
|
1.0
|
CD2
|
H:HIS502
|
3.1
|
34.1
|
1.0
|
C4A
|
G:HEC302
|
3.2
|
38.0
|
1.0
|
CHA
|
G:HEC302
|
3.4
|
28.6
|
1.0
|
HD2
|
H:HIS502
|
3.4
|
41.0
|
1.0
|
CHD
|
G:HEC302
|
3.5
|
30.5
|
1.0
|
CHC
|
G:HEC302
|
3.5
|
36.9
|
1.0
|
CHB
|
G:HEC302
|
3.5
|
41.6
|
1.0
|
HD21
|
H:LEU583
|
3.9
|
37.0
|
1.0
|
HG2
|
H:ARG499
|
4.1
|
35.1
|
1.0
|
ND1
|
H:HIS502
|
4.1
|
28.1
|
1.0
|
CG
|
H:HIS502
|
4.2
|
24.4
|
1.0
|
C3D
|
G:HEC302
|
4.3
|
28.6
|
1.0
|
HE21
|
G:GLN257
|
4.3
|
57.4
|
1.0
|
C2C
|
G:HEC302
|
4.3
|
34.0
|
1.0
|
C2A
|
G:HEC302
|
4.3
|
33.3
|
1.0
|
C3C
|
G:HEC302
|
4.3
|
28.2
|
1.0
|
HG3
|
G:GLN257
|
4.3
|
42.5
|
1.0
|
C2D
|
G:HEC302
|
4.3
|
18.5
|
1.0
|
HHA
|
G:HEC302
|
4.3
|
34.4
|
1.0
|
C3A
|
G:HEC302
|
4.3
|
32.8
|
1.0
|
C3B
|
G:HEC302
|
4.3
|
42.5
|
1.0
|
C2B
|
G:HEC302
|
4.3
|
44.5
|
1.0
|
HD11
|
H:LEU583
|
4.3
|
32.1
|
1.0
|
HHD
|
G:HEC302
|
4.4
|
36.7
|
1.0
|
HHC
|
G:HEC302
|
4.4
|
44.4
|
1.0
|
HHB
|
G:HEC302
|
4.5
|
50.0
|
1.0
|
HA
|
H:ARG499
|
4.8
|
27.5
|
1.0
|
HE2
|
G:HIS261
|
4.8
|
46.0
|
1.0
|
CD2
|
H:LEU583
|
4.8
|
30.8
|
1.0
|
NE2
|
G:GLN257
|
4.9
|
47.8
|
1.0
|
HD1
|
H:HIS502
|
4.9
|
33.7
|
1.0
|
HB3
|
H:ARG499
|
5.0
|
37.5
|
1.0
|
HD23
|
H:LEU583
|
5.0
|
37.0
|
1.0
|
CG
|
H:ARG499
|
5.0
|
29.2
|
1.0
|
|
Iron binding site 4 out
of 8 in 7z53
Go back to
Iron Binding Sites List in 7z53
Iron binding site 4 out
of 8 in the Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Fe302
b:30.8
occ:1.00
|
FE
|
I:HEC302
|
0.0
|
30.8
|
1.0
|
NC
|
I:HEC302
|
1.9
|
24.6
|
1.0
|
NB
|
I:HEC302
|
2.0
|
22.6
|
1.0
|
ND
|
I:HEC302
|
2.0
|
27.9
|
1.0
|
NA
|
I:HEC302
|
2.1
|
24.7
|
1.0
|
NE2
|
J:HIS502
|
2.2
|
33.2
|
1.0
|
C4C
|
I:HEC302
|
2.9
|
23.2
|
1.0
|
C1D
|
I:HEC302
|
3.0
|
25.0
|
1.0
|
C1C
|
I:HEC302
|
3.0
|
32.1
|
1.0
|
C4B
|
I:HEC302
|
3.0
|
34.3
|
1.0
|
C1B
|
I:HEC302
|
3.1
|
25.2
|
1.0
|
C4D
|
I:HEC302
|
3.1
|
26.6
|
1.0
|
C1A
|
I:HEC302
|
3.1
|
23.7
|
1.0
|
C4A
|
I:HEC302
|
3.1
|
28.0
|
1.0
|
CE1
|
J:HIS502
|
3.2
|
29.7
|
1.0
|
CD2
|
J:HIS502
|
3.2
|
29.3
|
1.0
|
CHD
|
I:HEC302
|
3.3
|
24.7
|
1.0
|
HE1
|
J:HIS502
|
3.3
|
35.7
|
1.0
|
HD2
|
J:HIS502
|
3.3
|
35.2
|
1.0
|
CHC
|
I:HEC302
|
3.4
|
33.1
|
1.0
|
CHB
|
I:HEC302
|
3.5
|
23.6
|
1.0
|
CHA
|
I:HEC302
|
3.5
|
31.2
|
1.0
|
HD21
|
J:LEU583
|
3.8
|
49.8
|
1.0
|
C3C
|
I:HEC302
|
4.1
|
26.6
|
1.0
|
HHD
|
I:HEC302
|
4.2
|
29.6
|
1.0
|
C2C
|
I:HEC302
|
4.2
|
25.8
|
1.0
|
C2D
|
I:HEC302
|
4.2
|
23.8
|
1.0
|
ND1
|
J:HIS502
|
4.3
|
27.2
|
1.0
|
C2B
|
I:HEC302
|
4.3
|
35.6
|
1.0
|
C3B
|
I:HEC302
|
4.3
|
34.1
|
1.0
|
HG2
|
J:ARG499
|
4.3
|
33.3
|
1.0
|
HG3
|
I:GLN257
|
4.3
|
29.1
|
1.0
|
CG
|
J:HIS502
|
4.3
|
31.4
|
1.0
|
C2A
|
I:HEC302
|
4.3
|
27.8
|
1.0
|
C3D
|
I:HEC302
|
4.3
|
29.3
|
1.0
|
C3A
|
I:HEC302
|
4.3
|
30.2
|
1.0
|
HE21
|
I:GLN257
|
4.4
|
41.7
|
1.0
|
HHC
|
I:HEC302
|
4.4
|
39.8
|
1.0
|
HD11
|
J:LEU583
|
4.4
|
44.2
|
1.0
|
HHB
|
I:HEC302
|
4.5
|
28.4
|
1.0
|
HHA
|
I:HEC302
|
4.5
|
37.5
|
1.0
|
CD2
|
J:LEU583
|
4.8
|
41.4
|
1.0
|
HA
|
J:ARG499
|
4.8
|
31.3
|
1.0
|
NE2
|
I:GLN257
|
4.9
|
34.7
|
1.0
|
HE2
|
I:HIS261
|
4.9
|
38.1
|
1.0
|
|
Iron binding site 5 out
of 8 in 7z53
Go back to
Iron Binding Sites List in 7z53
Iron binding site 5 out
of 8 in the Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Fe302
b:22.1
occ:1.00
|
FE
|
M:HEC302
|
0.0
|
22.1
|
1.0
|
ND
|
M:HEC302
|
2.0
|
22.2
|
1.0
|
NC
|
M:HEC302
|
2.0
|
21.1
|
1.0
|
NB
|
M:HEC302
|
2.1
|
17.7
|
1.0
|
NA
|
M:HEC302
|
2.1
|
19.5
|
1.0
|
NE2
|
N:HIS502
|
2.2
|
18.7
|
1.0
|
C4C
|
M:HEC302
|
3.0
|
21.5
|
1.0
|
C1D
|
M:HEC302
|
3.0
|
19.4
|
1.0
|
C4D
|
M:HEC302
|
3.0
|
20.6
|
1.0
|
C1A
|
M:HEC302
|
3.1
|
20.3
|
1.0
|
C1B
|
M:HEC302
|
3.1
|
29.0
|
1.0
|
C4A
|
M:HEC302
|
3.1
|
20.7
|
1.0
|
CE1
|
N:HIS502
|
3.1
|
23.9
|
1.0
|
C1C
|
M:HEC302
|
3.1
|
22.6
|
1.0
|
C4B
|
M:HEC302
|
3.1
|
24.6
|
1.0
|
CD2
|
N:HIS502
|
3.1
|
22.7
|
1.0
|
HE1
|
N:HIS502
|
3.3
|
28.7
|
1.0
|
HD2
|
N:HIS502
|
3.3
|
27.3
|
1.0
|
CHD
|
M:HEC302
|
3.3
|
24.1
|
1.0
|
CHA
|
M:HEC302
|
3.4
|
18.9
|
1.0
|
CHB
|
M:HEC302
|
3.5
|
21.9
|
1.0
|
O
|
N:HOH1128
|
3.5
|
39.3
|
1.0
|
CHC
|
M:HEC302
|
3.5
|
24.5
|
1.0
|
HD21
|
N:LEU583
|
3.7
|
28.8
|
1.0
|
C3C
|
M:HEC302
|
4.2
|
22.6
|
1.0
|
C2D
|
M:HEC302
|
4.2
|
18.3
|
1.0
|
C3D
|
M:HEC302
|
4.2
|
18.8
|
1.0
|
ND1
|
N:HIS502
|
4.2
|
20.1
|
1.0
|
C2C
|
M:HEC302
|
4.3
|
24.0
|
1.0
|
HG2
|
N:ARG499
|
4.3
|
21.8
|
1.0
|
HG3
|
M:GLN257
|
4.3
|
30.9
|
1.0
|
CG
|
N:HIS502
|
4.3
|
20.8
|
1.0
|
C2A
|
M:HEC302
|
4.3
|
16.5
|
1.0
|
C3A
|
M:HEC302
|
4.3
|
18.1
|
1.0
|
HHD
|
M:HEC302
|
4.3
|
28.9
|
1.0
|
C2B
|
M:HEC302
|
4.3
|
26.1
|
1.0
|
C3B
|
M:HEC302
|
4.4
|
28.3
|
1.0
|
HE21
|
M:GLN257
|
4.4
|
35.4
|
1.0
|
HHA
|
M:HEC302
|
4.4
|
22.7
|
1.0
|
HD11
|
N:LEU583
|
4.5
|
27.5
|
1.0
|
HHB
|
M:HEC302
|
4.5
|
26.4
|
1.0
|
HHC
|
M:HEC302
|
4.5
|
29.5
|
1.0
|
CD2
|
N:LEU583
|
4.7
|
23.9
|
1.0
|
HA
|
N:ARG499
|
4.8
|
20.1
|
1.0
|
HE2
|
M:HIS261
|
4.8
|
32.9
|
1.0
|
NE2
|
M:GLN257
|
4.9
|
29.5
|
1.0
|
HD22
|
N:LEU583
|
4.9
|
28.8
|
1.0
|
HB3
|
N:ARG499
|
5.0
|
25.9
|
1.0
|
|
Iron binding site 6 out
of 8 in 7z53
Go back to
Iron Binding Sites List in 7z53
Iron binding site 6 out
of 8 in the Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
O:Fe302
b:26.5
occ:1.00
|
FE
|
O:HEC302
|
0.0
|
26.5
|
1.0
|
NA
|
O:HEC302
|
2.0
|
21.0
|
1.0
|
ND
|
O:HEC302
|
2.0
|
28.0
|
1.0
|
NC
|
O:HEC302
|
2.1
|
20.8
|
1.0
|
NE2
|
P:HIS502
|
2.1
|
21.3
|
1.0
|
NB
|
O:HEC302
|
2.1
|
23.6
|
1.0
|
CE1
|
P:HIS502
|
3.0
|
23.2
|
1.0
|
C1A
|
O:HEC302
|
3.0
|
25.7
|
1.0
|
C4C
|
O:HEC302
|
3.0
|
26.1
|
1.0
|
C4D
|
O:HEC302
|
3.0
|
20.8
|
1.0
|
C1D
|
O:HEC302
|
3.0
|
27.2
|
1.0
|
C4A
|
O:HEC302
|
3.1
|
25.9
|
1.0
|
C1B
|
O:HEC302
|
3.1
|
24.9
|
1.0
|
CD2
|
P:HIS502
|
3.1
|
27.3
|
1.0
|
C1C
|
O:HEC302
|
3.1
|
21.9
|
1.0
|
HE1
|
P:HIS502
|
3.2
|
27.9
|
1.0
|
C4B
|
O:HEC302
|
3.2
|
25.8
|
1.0
|
HD2
|
P:HIS502
|
3.3
|
32.8
|
1.0
|
CHA
|
O:HEC302
|
3.4
|
22.2
|
1.0
|
CHD
|
O:HEC302
|
3.4
|
29.2
|
1.0
|
CHB
|
O:HEC302
|
3.4
|
25.3
|
1.0
|
CHC
|
O:HEC302
|
3.5
|
28.0
|
1.0
|
O
|
O:HOH424
|
3.7
|
40.0
|
1.0
|
HD21
|
P:LEU583
|
3.7
|
24.1
|
1.0
|
ND1
|
P:HIS502
|
4.2
|
24.8
|
1.0
|
CG
|
P:HIS502
|
4.2
|
22.1
|
1.0
|
C3D
|
O:HEC302
|
4.3
|
25.2
|
1.0
|
C3C
|
O:HEC302
|
4.3
|
22.3
|
1.0
|
C2A
|
O:HEC302
|
4.3
|
23.9
|
1.0
|
C2D
|
O:HEC302
|
4.3
|
21.7
|
1.0
|
C3A
|
O:HEC302
|
4.3
|
20.6
|
1.0
|
C2C
|
O:HEC302
|
4.3
|
28.7
|
1.0
|
HD11
|
P:LEU583
|
4.3
|
26.1
|
1.0
|
HHA
|
O:HEC302
|
4.3
|
26.7
|
1.0
|
C2B
|
O:HEC302
|
4.3
|
34.0
|
1.0
|
HHD
|
O:HEC302
|
4.3
|
35.1
|
1.0
|
C3B
|
O:HEC302
|
4.4
|
29.9
|
1.0
|
HG2
|
P:ARG499
|
4.4
|
28.8
|
1.0
|
HHB
|
O:HEC302
|
4.4
|
30.4
|
1.0
|
HE21
|
O:GLN257
|
4.5
|
39.0
|
1.0
|
HG3
|
O:GLN257
|
4.5
|
38.2
|
1.0
|
HHC
|
O:HEC302
|
4.5
|
33.6
|
1.0
|
CD2
|
P:LEU583
|
4.7
|
20.2
|
1.0
|
HE2
|
O:HIS261
|
4.9
|
33.5
|
1.0
|
HA
|
P:ARG499
|
4.9
|
26.8
|
1.0
|
HD1
|
P:HIS502
|
4.9
|
29.8
|
1.0
|
HD3
|
P:ARG499
|
5.0
|
29.1
|
1.0
|
|
Iron binding site 7 out
of 8 in 7z53
Go back to
Iron Binding Sites List in 7z53
Iron binding site 7 out
of 8 in the Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Fe302
b:29.1
occ:1.00
|
FE
|
S:HEC302
|
0.0
|
29.1
|
1.0
|
NC
|
S:HEC302
|
2.0
|
26.2
|
1.0
|
NB
|
S:HEC302
|
2.1
|
29.4
|
1.0
|
NE2
|
T:HIS502
|
2.1
|
25.0
|
1.0
|
ND
|
S:HEC302
|
2.1
|
32.6
|
1.0
|
NA
|
S:HEC302
|
2.2
|
29.9
|
1.0
|
C4C
|
S:HEC302
|
3.0
|
25.3
|
1.0
|
C1C
|
S:HEC302
|
3.0
|
29.3
|
1.0
|
CD2
|
T:HIS502
|
3.1
|
28.9
|
1.0
|
C1D
|
S:HEC302
|
3.1
|
28.1
|
1.0
|
CE1
|
T:HIS502
|
3.1
|
27.2
|
1.0
|
C1B
|
S:HEC302
|
3.1
|
30.6
|
1.0
|
C4B
|
S:HEC302
|
3.1
|
30.3
|
1.0
|
C4A
|
S:HEC302
|
3.2
|
30.0
|
1.0
|
C1A
|
S:HEC302
|
3.2
|
27.6
|
1.0
|
C4D
|
S:HEC302
|
3.2
|
31.9
|
1.0
|
HD2
|
T:HIS502
|
3.2
|
34.7
|
1.0
|
HE1
|
T:HIS502
|
3.3
|
32.7
|
1.0
|
CHD
|
S:HEC302
|
3.4
|
32.6
|
1.0
|
CHC
|
S:HEC302
|
3.4
|
31.8
|
1.0
|
CHB
|
S:HEC302
|
3.5
|
33.8
|
1.0
|
CHA
|
S:HEC302
|
3.5
|
33.0
|
1.0
|
HD21
|
T:LEU583
|
3.7
|
38.4
|
1.0
|
HG3
|
S:GLN257
|
4.2
|
29.8
|
1.0
|
C3C
|
S:HEC302
|
4.2
|
29.5
|
1.0
|
C2C
|
S:HEC302
|
4.2
|
32.0
|
1.0
|
ND1
|
T:HIS502
|
4.2
|
20.8
|
1.0
|
CG
|
T:HIS502
|
4.2
|
24.5
|
1.0
|
C2B
|
S:HEC302
|
4.3
|
35.5
|
1.0
|
C3B
|
S:HEC302
|
4.3
|
33.2
|
1.0
|
C3A
|
S:HEC302
|
4.3
|
24.3
|
1.0
|
C2D
|
S:HEC302
|
4.3
|
23.4
|
1.0
|
C2A
|
S:HEC302
|
4.4
|
25.4
|
1.0
|
HHD
|
S:HEC302
|
4.4
|
39.2
|
1.0
|
C3D
|
S:HEC302
|
4.4
|
29.5
|
1.0
|
HHC
|
S:HEC302
|
4.4
|
38.2
|
1.0
|
HD11
|
T:LEU583
|
4.4
|
40.7
|
1.0
|
HG2
|
T:ARG499
|
4.4
|
30.0
|
1.0
|
HHB
|
S:HEC302
|
4.5
|
40.6
|
1.0
|
HHA
|
S:HEC302
|
4.5
|
39.6
|
1.0
|
HE21
|
S:GLN257
|
4.5
|
42.0
|
1.0
|
CD2
|
T:LEU583
|
4.6
|
32.0
|
1.0
|
HB3
|
T:ARG499
|
4.9
|
26.0
|
1.0
|
HA
|
T:ARG499
|
4.9
|
28.3
|
1.0
|
HD1
|
T:HIS502
|
5.0
|
25.0
|
1.0
|
HD11
|
T:ILE505
|
5.0
|
35.6
|
1.0
|
|
Iron binding site 8 out
of 8 in 7z53
Go back to
Iron Binding Sites List in 7z53
Iron binding site 8 out
of 8 in the Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Structure of Native Leukocyte Myeloperoxidase in Complex with A Truncated Version (Spin Truncated) of the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
U:Fe302
b:22.9
occ:1.00
|
FE
|
U:HEC302
|
0.0
|
22.9
|
1.0
|
NC
|
U:HEC302
|
2.0
|
21.2
|
1.0
|
NA
|
U:HEC302
|
2.0
|
19.2
|
1.0
|
NB
|
U:HEC302
|
2.1
|
25.6
|
1.0
|
ND
|
U:HEC302
|
2.1
|
24.7
|
1.0
|
NE2
|
V:HIS502
|
2.1
|
16.0
|
1.0
|
C4C
|
U:HEC302
|
3.0
|
25.6
|
1.0
|
C1B
|
U:HEC302
|
3.0
|
29.6
|
1.0
|
C1D
|
U:HEC302
|
3.0
|
21.8
|
1.0
|
C4A
|
U:HEC302
|
3.0
|
19.4
|
1.0
|
C1A
|
U:HEC302
|
3.0
|
19.5
|
1.0
|
C4D
|
U:HEC302
|
3.1
|
22.3
|
1.0
|
C1C
|
U:HEC302
|
3.1
|
24.1
|
1.0
|
CD2
|
V:HIS502
|
3.1
|
22.0
|
1.0
|
CE1
|
V:HIS502
|
3.1
|
26.0
|
1.0
|
C4B
|
U:HEC302
|
3.1
|
25.8
|
1.0
|
HD2
|
V:HIS502
|
3.3
|
26.4
|
1.0
|
HE1
|
V:HIS502
|
3.3
|
31.2
|
1.0
|
CHD
|
U:HEC302
|
3.3
|
25.2
|
1.0
|
CHB
|
U:HEC302
|
3.4
|
21.8
|
1.0
|
CHA
|
U:HEC302
|
3.4
|
21.8
|
1.0
|
CHC
|
U:HEC302
|
3.5
|
26.0
|
1.0
|
HD21
|
V:LEU583
|
3.8
|
26.3
|
1.0
|
C3C
|
U:HEC302
|
4.2
|
24.1
|
1.0
|
C2A
|
U:HEC302
|
4.2
|
22.1
|
1.0
|
ND1
|
V:HIS502
|
4.2
|
17.4
|
1.0
|
C3A
|
U:HEC302
|
4.3
|
20.7
|
1.0
|
C2D
|
U:HEC302
|
4.3
|
18.2
|
1.0
|
CG
|
V:HIS502
|
4.3
|
18.2
|
1.0
|
C2B
|
U:HEC302
|
4.3
|
33.0
|
1.0
|
C2C
|
U:HEC302
|
4.3
|
24.6
|
1.0
|
C3D
|
U:HEC302
|
4.3
|
20.5
|
1.0
|
HHD
|
U:HEC302
|
4.3
|
30.3
|
1.0
|
HG2
|
V:ARG499
|
4.3
|
21.8
|
1.0
|
C3B
|
U:HEC302
|
4.3
|
35.0
|
1.0
|
HG3
|
U:GLN257
|
4.3
|
26.2
|
1.0
|
HHA
|
U:HEC302
|
4.4
|
26.2
|
1.0
|
HHB
|
U:HEC302
|
4.4
|
26.2
|
1.0
|
HD11
|
V:LEU583
|
4.4
|
22.0
|
1.0
|
HE21
|
U:GLN257
|
4.5
|
40.6
|
1.0
|
HHC
|
U:HEC302
|
4.5
|
31.3
|
1.0
|
CD2
|
V:LEU583
|
4.8
|
21.9
|
1.0
|
HB3
|
V:ARG499
|
4.9
|
25.1
|
1.0
|
HA
|
V:ARG499
|
4.9
|
21.6
|
1.0
|
|
Reference:
U.Leitgeb,
P.G.Furtmuller,
S.Hofbauer,
J.A.Brito,
C.Obinger,
V.Pfanzagl.
The Staphylococcal Inhibitory Protein Spin Binds to Human Myeloperoxidase with Picomolar Affinity But Only Dampens Halide Oxidation. J.Biol.Chem. V. 298 02514 2022.
ISSN: ESSN 1083-351X
PubMed: 36150500
DOI: 10.1016/J.JBC.2022.102514
Page generated: Fri Aug 9 13:01:00 2024
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