Iron in PDB 7qzr: Structure of Native Leukocyte Myeloperoxidase in Complex with the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus
Protein crystallography data
The structure of Structure of Native Leukocyte Myeloperoxidase in Complex with the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus, PDB code: 7qzr
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)
|
19.81 /
2.18
|
Space group
|
P 43 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
112.085,
112.085,
249.949,
90,
90,
90
|
R / Rfree (%)
|
20.4 /
24.4
|
Other elements in 7qzr:
The structure of Structure of Native Leukocyte Myeloperoxidase in Complex with 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 the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus
(pdb code 7qzr). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the
Structure of Native Leukocyte Myeloperoxidase in Complex with the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus, PDB code: 7qzr:
Jump to Iron binding site number:
1;
2;
Iron binding site 1 out
of 2 in 7qzr
Go back to
Iron Binding Sites List in 7qzr
Iron binding site 1 out
of 2 in the Structure of Native Leukocyte Myeloperoxidase in Complex with 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 the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe302
b:25.4
occ:1.00
|
FE
|
A:HEC302
|
0.0
|
25.4
|
1.0
|
NC
|
A:HEC302
|
2.1
|
25.9
|
1.0
|
ND
|
A:HEC302
|
2.1
|
25.2
|
1.0
|
NB
|
A:HEC302
|
2.1
|
26.9
|
1.0
|
NA
|
A:HEC302
|
2.1
|
25.3
|
1.0
|
NE2
|
B:HIS502
|
2.2
|
24.8
|
1.0
|
C4C
|
A:HEC302
|
3.1
|
25.8
|
1.0
|
C1B
|
A:HEC302
|
3.1
|
27.4
|
1.0
|
C1C
|
A:HEC302
|
3.1
|
26.2
|
1.0
|
O
|
A:HOH416
|
3.1
|
47.5
|
1.0
|
CD2
|
B:HIS502
|
3.1
|
24.0
|
1.0
|
C4D
|
A:HEC302
|
3.1
|
24.4
|
1.0
|
C1D
|
A:HEC302
|
3.1
|
25.0
|
1.0
|
C1A
|
A:HEC302
|
3.1
|
25.0
|
1.0
|
C4A
|
A:HEC302
|
3.1
|
25.2
|
1.0
|
C4B
|
A:HEC302
|
3.1
|
27.5
|
1.0
|
CE1
|
B:HIS502
|
3.2
|
24.8
|
1.0
|
HD2
|
B:HIS502
|
3.3
|
20.6
|
0.0
|
HE1
|
B:HIS502
|
3.5
|
21.3
|
0.0
|
CHD
|
A:HEC302
|
3.5
|
25.1
|
1.0
|
CHB
|
A:HEC302
|
3.5
|
26.1
|
1.0
|
CHA
|
A:HEC302
|
3.5
|
24.8
|
1.0
|
CHC
|
A:HEC302
|
3.5
|
26.7
|
1.0
|
HD21
|
B:LEU583
|
3.6
|
20.0
|
0.0
|
HG3
|
A:GLN257
|
3.8
|
21.0
|
0.0
|
HE21
|
A:GLN257
|
4.1
|
22.9
|
0.0
|
HD11
|
B:LEU583
|
4.3
|
19.9
|
0.0
|
CG
|
B:HIS502
|
4.3
|
23.1
|
1.0
|
ND1
|
B:HIS502
|
4.3
|
24.4
|
1.0
|
C2C
|
A:HEC302
|
4.4
|
26.2
|
1.0
|
C3C
|
A:HEC302
|
4.4
|
26.4
|
1.0
|
C2B
|
A:HEC302
|
4.4
|
29.5
|
1.0
|
C3D
|
A:HEC302
|
4.4
|
23.8
|
1.0
|
HG2
|
B:ARG499
|
4.4
|
15.0
|
0.0
|
C3A
|
A:HEC302
|
4.4
|
24.6
|
1.0
|
C2A
|
A:HEC302
|
4.4
|
24.7
|
1.0
|
C2D
|
A:HEC302
|
4.4
|
24.2
|
1.0
|
C3B
|
A:HEC302
|
4.4
|
29.6
|
1.0
|
HHD
|
A:HEC302
|
4.6
|
21.3
|
0.0
|
HHB
|
A:HEC302
|
4.6
|
23.1
|
0.0
|
HHA
|
A:HEC302
|
4.6
|
21.2
|
0.0
|
HHC
|
A:HEC302
|
4.6
|
23.4
|
0.0
|
CD2
|
B:LEU583
|
4.6
|
23.2
|
1.0
|
HA
|
B:ARG499
|
4.7
|
13.8
|
0.0
|
NE2
|
A:GLN257
|
4.8
|
25.4
|
1.0
|
CG
|
A:GLN257
|
4.9
|
23.6
|
1.0
|
HD3
|
B:ARG499
|
4.9
|
15.8
|
0.0
|
HB3
|
B:ARG499
|
4.9
|
13.9
|
0.0
|
HD22
|
B:LEU583
|
4.9
|
20.2
|
0.0
|
HD11
|
B:ILE505
|
5.0
|
20.4
|
0.0
|
|
Iron binding site 2 out
of 2 in 7qzr
Go back to
Iron Binding Sites List in 7qzr
Iron binding site 2 out
of 2 in the Structure of Native Leukocyte Myeloperoxidase in Complex with 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 the Staphyloccal Peroxidase Inhibitor Spin From Staphylococcus Aureus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe301
b:30.4
occ:1.00
|
FE
|
C:HEC301
|
0.0
|
30.4
|
1.0
|
NA
|
C:HEC301
|
2.1
|
30.6
|
1.0
|
NB
|
C:HEC301
|
2.1
|
31.5
|
1.0
|
ND
|
C:HEC301
|
2.1
|
29.9
|
1.0
|
NC
|
C:HEC301
|
2.1
|
30.2
|
1.0
|
NE2
|
D:HIS502
|
2.2
|
25.9
|
1.0
|
C1B
|
C:HEC301
|
3.1
|
32.1
|
1.0
|
C4D
|
C:HEC301
|
3.1
|
29.7
|
1.0
|
C1D
|
C:HEC301
|
3.1
|
29.6
|
1.0
|
C4C
|
C:HEC301
|
3.1
|
29.8
|
1.0
|
C1A
|
C:HEC301
|
3.1
|
30.1
|
1.0
|
C4B
|
C:HEC301
|
3.1
|
32.1
|
1.0
|
C4A
|
C:HEC301
|
3.1
|
30.8
|
1.0
|
C1C
|
C:HEC301
|
3.1
|
30.4
|
1.0
|
CE1
|
D:HIS502
|
3.2
|
26.3
|
1.0
|
CD2
|
D:HIS502
|
3.2
|
25.1
|
1.0
|
HE1
|
D:HIS502
|
3.4
|
22.8
|
0.0
|
HD2
|
D:HIS502
|
3.4
|
21.8
|
0.0
|
HD21
|
D:LEU583
|
3.5
|
23.4
|
0.0
|
CHD
|
C:HEC301
|
3.5
|
29.6
|
1.0
|
CHB
|
C:HEC301
|
3.5
|
31.4
|
1.0
|
CHA
|
C:HEC301
|
3.5
|
29.7
|
1.0
|
CHC
|
C:HEC301
|
3.6
|
31.2
|
1.0
|
O
|
C:HOH437
|
3.9
|
39.4
|
1.0
|
HG3
|
C:GLN257
|
4.0
|
24.8
|
0.0
|
HG2
|
D:ARG499
|
4.2
|
17.9
|
0.0
|
ND1
|
D:HIS502
|
4.3
|
25.9
|
1.0
|
CG
|
D:HIS502
|
4.3
|
24.5
|
1.0
|
HE21
|
C:GLN257
|
4.3
|
30.1
|
0.0
|
HD11
|
D:LEU583
|
4.4
|
22.1
|
0.0
|
C3D
|
C:HEC301
|
4.4
|
29.8
|
1.0
|
C2B
|
C:HEC301
|
4.4
|
33.4
|
1.0
|
C3B
|
C:HEC301
|
4.4
|
33.5
|
1.0
|
C2D
|
C:HEC301
|
4.4
|
29.3
|
1.0
|
C2A
|
C:HEC301
|
4.4
|
30.1
|
1.0
|
C3A
|
C:HEC301
|
4.4
|
30.1
|
1.0
|
C2C
|
C:HEC301
|
4.4
|
29.9
|
1.0
|
C3C
|
C:HEC301
|
4.4
|
29.6
|
1.0
|
CD2
|
D:LEU583
|
4.5
|
26.7
|
1.0
|
HHD
|
C:HEC301
|
4.6
|
25.7
|
0.0
|
HHB
|
C:HEC301
|
4.6
|
28.5
|
0.0
|
HHA
|
C:HEC301
|
4.6
|
25.9
|
0.0
|
HHC
|
C:HEC301
|
4.6
|
28.2
|
0.0
|
HA
|
D:ARG499
|
4.7
|
17.5
|
0.0
|
HD23
|
D:LEU583
|
4.9
|
23.7
|
0.0
|
NE2
|
C:GLN257
|
4.9
|
32.9
|
1.0
|
HD22
|
D:LEU583
|
5.0
|
23.7
|
0.0
|
|
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: Thu Aug 8 20:49:48 2024
|