Calcium 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:
Calcium Binding Sites:
The binding sites of Calcium 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 Calcium atom.
In total 8 binding sites of Calcium 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 Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Calcium binding site 1 out
of 8 in 7z53
Go back to
Calcium Binding Sites List in 7z53
Calcium 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 Calcium with other atoms in the Ca 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
|
B:Ca1001
b:29.2
occ:1.00
|
O
|
B:THR334
|
2.2
|
22.9
|
1.0
|
|
O
|
A:ASP262
|
2.3
|
27.1
|
1.0
|
|
O
|
B:PHE336
|
2.4
|
28.6
|
1.0
|
|
OD1
|
A:ASP262
|
2.5
|
38.4
|
1.0
|
|
OG
|
B:SER340
|
2.5
|
28.9
|
1.0
|
|
OD1
|
B:ASP338
|
2.5
|
25.0
|
1.0
|
|
OG1
|
B:THR334
|
2.6
|
24.6
|
1.0
|
|
HG1
|
B:THR334
|
2.9
|
29.5
|
1.0
|
|
HB3
|
B:SER340
|
3.2
|
37.3
|
1.0
|
|
C
|
B:THR334
|
3.2
|
27.8
|
1.0
|
|
H
|
B:ASP338
|
3.3
|
35.3
|
1.0
|
|
CB
|
B:SER340
|
3.4
|
31.1
|
1.0
|
|
C
|
A:ASP262
|
3.5
|
31.0
|
1.0
|
|
CG
|
B:ASP338
|
3.5
|
28.7
|
1.0
|
|
H
|
B:SER340
|
3.5
|
32.8
|
1.0
|
|
C
|
B:PHE336
|
3.6
|
30.6
|
1.0
|
|
CG
|
A:ASP262
|
3.7
|
43.4
|
1.0
|
|
CB
|
B:THR334
|
3.8
|
25.4
|
1.0
|
|
OD2
|
B:ASP338
|
3.9
|
31.7
|
1.0
|
|
N
|
B:PHE336
|
3.9
|
27.5
|
1.0
|
|
HA
|
A:LEU263
|
3.9
|
36.4
|
1.0
|
|
C
|
B:SER335
|
4.0
|
30.1
|
1.0
|
|
H
|
B:PHE336
|
4.0
|
33.0
|
1.0
|
|
HA
|
A:ASP262
|
4.0
|
39.0
|
1.0
|
|
CA
|
B:THR334
|
4.0
|
26.1
|
1.0
|
|
HD23
|
A:LEU263
|
4.0
|
35.2
|
1.0
|
|
HB2
|
B:SER340
|
4.1
|
37.3
|
1.0
|
|
H
|
B:THR334
|
4.1
|
31.2
|
1.0
|
|
N
|
B:ASP338
|
4.2
|
29.4
|
1.0
|
|
N
|
B:SER335
|
4.2
|
32.5
|
1.0
|
|
CA
|
A:ASP262
|
4.2
|
32.5
|
1.0
|
|
N
|
B:THR334
|
4.3
|
25.9
|
1.0
|
|
N
|
B:SER340
|
4.3
|
27.3
|
1.0
|
|
CA
|
B:PHE336
|
4.3
|
29.6
|
1.0
|
|
O
|
B:SER335
|
4.3
|
30.5
|
1.0
|
|
HA
|
B:VAL337
|
4.3
|
35.6
|
1.0
|
|
HB
|
B:THR334
|
4.4
|
30.6
|
1.0
|
|
HB3
|
B:LEU333
|
4.4
|
34.2
|
1.0
|
|
HA
|
B:SER335
|
4.4
|
34.9
|
1.0
|
|
CA
|
B:SER335
|
4.4
|
29.1
|
1.0
|
|
CA
|
B:SER340
|
4.5
|
30.8
|
1.0
|
|
N
|
A:LEU263
|
4.5
|
27.4
|
1.0
|
|
CB
|
A:ASP262
|
4.5
|
41.7
|
1.0
|
|
HB2
|
B:PHE336
|
4.5
|
43.1
|
1.0
|
|
OD2
|
A:ASP262
|
4.5
|
39.2
|
1.0
|
|
N
|
B:VAL337
|
4.6
|
31.5
|
1.0
|
|
HG23
|
B:THR334
|
4.6
|
34.0
|
1.0
|
|
CB
|
B:ASP338
|
4.7
|
27.9
|
1.0
|
|
CA
|
A:LEU263
|
4.7
|
30.3
|
1.0
|
|
CG2
|
B:THR334
|
4.8
|
28.3
|
1.0
|
|
CA
|
B:VAL337
|
4.8
|
29.6
|
1.0
|
|
CA
|
B:ASP338
|
4.9
|
29.3
|
1.0
|
|
HB3
|
A:ASP262
|
4.9
|
50.1
|
1.0
|
|
O
|
B:HOH1162
|
4.9
|
34.6
|
1.0
|
|
HA
|
B:THR334
|
4.9
|
31.3
|
1.0
|
|
H
|
B:SER335
|
4.9
|
39.0
|
1.0
|
|
CD2
|
A:LEU263
|
4.9
|
29.3
|
1.0
|
|
HB3
|
B:ASP338
|
4.9
|
33.5
|
1.0
|
|
HG
|
B:SER345
|
5.0
|
37.0
|
1.0
|
|
H
|
B:ALA339
|
5.0
|
30.9
|
1.0
|
|
Calcium binding site 2 out
of 8 in 7z53
Go back to
Calcium Binding Sites List in 7z53
Calcium 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 Calcium with other atoms in the Ca 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
|
D:Ca1001
b:31.9
occ:1.00
|
O
|
C:ASP262
|
2.2
|
32.9
|
1.0
|
|
OD1
|
D:ASP338
|
2.3
|
34.6
|
1.0
|
|
O
|
D:PHE336
|
2.3
|
30.9
|
1.0
|
|
OG
|
D:SER340
|
2.4
|
36.2
|
1.0
|
|
O
|
D:THR334
|
2.4
|
30.3
|
1.0
|
|
OD1
|
C:ASP262
|
2.4
|
37.0
|
1.0
|
|
OG1
|
D:THR334
|
2.6
|
30.6
|
1.0
|
|
HG1
|
D:THR334
|
2.9
|
36.7
|
1.0
|
|
HB3
|
D:SER340
|
3.2
|
37.7
|
1.0
|
|
CG
|
D:ASP338
|
3.3
|
32.3
|
1.0
|
|
C
|
D:THR334
|
3.3
|
25.1
|
1.0
|
|
C
|
C:ASP262
|
3.3
|
30.7
|
1.0
|
|
CB
|
D:SER340
|
3.4
|
31.4
|
1.0
|
|
C
|
D:PHE336
|
3.5
|
25.3
|
1.0
|
|
H
|
D:ASP338
|
3.5
|
38.3
|
1.0
|
|
CG
|
C:ASP262
|
3.6
|
40.9
|
1.0
|
|
H
|
D:SER340
|
3.6
|
47.9
|
1.0
|
|
OD2
|
D:ASP338
|
3.6
|
33.4
|
1.0
|
|
CB
|
D:THR334
|
3.8
|
25.9
|
1.0
|
|
HA
|
C:ASP262
|
3.9
|
33.8
|
1.0
|
|
N
|
D:PHE336
|
3.9
|
30.4
|
1.0
|
|
HA
|
C:LEU263
|
3.9
|
34.7
|
1.0
|
|
C
|
D:SER335
|
4.0
|
29.0
|
1.0
|
|
CA
|
D:THR334
|
4.0
|
27.9
|
1.0
|
|
H
|
D:PHE336
|
4.0
|
36.5
|
1.0
|
|
HB2
|
D:SER340
|
4.0
|
37.7
|
1.0
|
|
H
|
D:THR334
|
4.1
|
30.8
|
1.0
|
|
CA
|
C:ASP262
|
4.1
|
28.1
|
1.0
|
|
O
|
D:SER335
|
4.2
|
34.0
|
1.0
|
|
N
|
D:THR334
|
4.2
|
25.6
|
1.0
|
|
HD23
|
C:LEU263
|
4.2
|
35.9
|
1.0
|
|
CA
|
D:PHE336
|
4.2
|
24.2
|
1.0
|
|
N
|
D:ASP338
|
4.3
|
31.9
|
1.0
|
|
N
|
D:SER335
|
4.3
|
32.4
|
1.0
|
|
HB2
|
D:PHE336
|
4.3
|
38.1
|
1.0
|
|
HB3
|
D:LEU333
|
4.3
|
36.1
|
1.0
|
|
HA
|
D:VAL337
|
4.3
|
40.1
|
1.0
|
|
HB
|
D:THR334
|
4.3
|
31.2
|
1.0
|
|
N
|
D:SER340
|
4.3
|
39.8
|
1.0
|
|
N
|
C:LEU263
|
4.4
|
30.9
|
1.0
|
|
CB
|
C:ASP262
|
4.4
|
33.8
|
1.0
|
|
CA
|
D:SER340
|
4.5
|
41.2
|
1.0
|
|
HA
|
D:SER335
|
4.5
|
35.1
|
1.0
|
|
OD2
|
C:ASP262
|
4.5
|
40.8
|
1.0
|
|
CA
|
D:SER335
|
4.5
|
29.2
|
1.0
|
|
N
|
D:VAL337
|
4.6
|
25.1
|
1.0
|
|
CA
|
C:LEU263
|
4.6
|
28.9
|
1.0
|
|
HG23
|
D:THR334
|
4.6
|
34.8
|
1.0
|
|
CB
|
D:ASP338
|
4.6
|
38.2
|
1.0
|
|
HB3
|
C:ASP262
|
4.7
|
40.6
|
1.0
|
|
CG2
|
D:THR334
|
4.8
|
29.0
|
1.0
|
|
CB
|
D:PHE336
|
4.8
|
31.7
|
1.0
|
|
CA
|
D:VAL337
|
4.8
|
33.4
|
1.0
|
|
HG
|
D:SER345
|
4.9
|
37.0
|
1.0
|
|
HA
|
D:THR334
|
4.9
|
33.5
|
1.0
|
|
H
|
D:ALA339
|
4.9
|
44.3
|
1.0
|
|
CA
|
D:ASP338
|
4.9
|
34.4
|
1.0
|
|
HB3
|
D:ASP338
|
5.0
|
45.9
|
1.0
|
|
Calcium binding site 3 out
of 8 in 7z53
Go back to
Calcium Binding Sites List in 7z53
Calcium 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 Calcium with other atoms in the Ca 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
|
H:Ca1001
b:39.5
occ:1.00
|
O
|
G:ASP262
|
2.3
|
35.9
|
1.0
|
|
O
|
H:PHE336
|
2.4
|
38.7
|
1.0
|
|
OG1
|
H:THR334
|
2.4
|
43.9
|
1.0
|
|
OD1
|
H:ASP338
|
2.5
|
36.5
|
1.0
|
|
O
|
H:THR334
|
2.5
|
43.3
|
1.0
|
|
HG
|
H:SER340
|
2.5
|
49.0
|
1.0
|
|
OD1
|
G:ASP262
|
2.5
|
48.0
|
1.0
|
|
HB3
|
H:SER340
|
2.7
|
53.1
|
1.0
|
|
OG
|
H:SER340
|
2.8
|
40.8
|
1.0
|
|
CB
|
H:SER340
|
3.2
|
44.2
|
1.0
|
|
C
|
H:THR334
|
3.3
|
32.8
|
1.0
|
|
H
|
H:ASP338
|
3.4
|
48.4
|
1.0
|
|
CG
|
H:ASP338
|
3.4
|
38.4
|
1.0
|
|
H
|
H:SER340
|
3.5
|
54.1
|
1.0
|
|
C
|
G:ASP262
|
3.5
|
41.4
|
1.0
|
|
C
|
H:PHE336
|
3.5
|
36.3
|
1.0
|
|
CB
|
H:THR334
|
3.6
|
41.4
|
1.0
|
|
CG
|
G:ASP262
|
3.7
|
51.8
|
1.0
|
|
OD2
|
H:ASP338
|
3.7
|
34.2
|
1.0
|
|
H
|
H:PHE336
|
3.8
|
44.8
|
1.0
|
|
HB2
|
H:SER340
|
3.8
|
53.1
|
1.0
|
|
N
|
H:PHE336
|
3.8
|
37.3
|
1.0
|
|
CA
|
H:THR334
|
3.9
|
32.3
|
1.0
|
|
H
|
H:THR334
|
3.9
|
44.6
|
1.0
|
|
HA
|
G:LEU263
|
4.0
|
40.4
|
1.0
|
|
HD23
|
G:LEU263
|
4.1
|
49.6
|
1.0
|
|
HB
|
H:THR334
|
4.1
|
49.8
|
1.0
|
|
C
|
H:SER335
|
4.1
|
40.5
|
1.0
|
|
HA
|
G:ASP262
|
4.2
|
41.0
|
1.0
|
|
N
|
H:THR334
|
4.2
|
37.1
|
1.0
|
|
N
|
H:ASP338
|
4.2
|
40.3
|
1.0
|
|
N
|
H:SER340
|
4.2
|
45.1
|
1.0
|
|
CA
|
H:PHE336
|
4.2
|
38.9
|
1.0
|
|
N
|
H:SER335
|
4.3
|
38.7
|
1.0
|
|
CA
|
G:ASP262
|
4.3
|
34.2
|
1.0
|
|
HB2
|
H:PHE336
|
4.3
|
47.7
|
1.0
|
|
CA
|
H:SER340
|
4.3
|
38.4
|
1.0
|
|
HA
|
H:VAL337
|
4.4
|
47.4
|
1.0
|
|
HB3
|
H:LEU333
|
4.5
|
46.3
|
1.0
|
|
OD2
|
G:ASP262
|
4.5
|
43.9
|
1.0
|
|
N
|
G:LEU263
|
4.5
|
35.1
|
1.0
|
|
HG23
|
H:THR334
|
4.6
|
47.2
|
1.0
|
|
HA
|
H:SER335
|
4.6
|
43.6
|
1.0
|
|
CB
|
G:ASP262
|
4.6
|
48.6
|
1.0
|
|
N
|
H:VAL337
|
4.6
|
36.2
|
1.0
|
|
CA
|
H:SER335
|
4.6
|
36.3
|
1.0
|
|
O
|
H:SER335
|
4.6
|
46.9
|
1.0
|
|
CB
|
H:ASP338
|
4.7
|
41.5
|
1.0
|
|
CG2
|
H:THR334
|
4.7
|
39.3
|
1.0
|
|
CA
|
G:LEU263
|
4.7
|
33.6
|
1.0
|
|
HA
|
H:THR334
|
4.8
|
38.8
|
1.0
|
|
CA
|
H:ASP338
|
4.9
|
44.3
|
1.0
|
|
H
|
H:ALA339
|
4.9
|
56.8
|
1.0
|
|
CA
|
H:VAL337
|
4.9
|
39.4
|
1.0
|
|
CB
|
H:PHE336
|
4.9
|
39.7
|
1.0
|
|
HA
|
H:SER340
|
4.9
|
46.1
|
1.0
|
|
HB3
|
G:ASP262
|
4.9
|
58.4
|
1.0
|
|
CD2
|
G:LEU263
|
5.0
|
41.3
|
1.0
|
|
HG21
|
H:THR334
|
5.0
|
47.2
|
1.0
|
|
HB3
|
H:ASP338
|
5.0
|
49.8
|
1.0
|
|
Calcium binding site 4 out
of 8 in 7z53
Go back to
Calcium Binding Sites List in 7z53
Calcium 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 Calcium with other atoms in the Ca 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
|
J:Ca1001
b:26.4
occ:1.00
|
O
|
I:ASP262
|
2.1
|
30.9
|
1.0
|
|
O
|
J:THR334
|
2.3
|
22.7
|
1.0
|
|
OD1
|
J:ASP338
|
2.4
|
27.0
|
1.0
|
|
O
|
J:PHE336
|
2.4
|
33.4
|
1.0
|
|
OD1
|
I:ASP262
|
2.5
|
37.5
|
1.0
|
|
OG1
|
J:THR334
|
2.5
|
24.0
|
1.0
|
|
OG
|
J:SER340
|
2.6
|
27.3
|
1.0
|
|
H
|
J:ASP338
|
3.3
|
32.8
|
1.0
|
|
C
|
I:ASP262
|
3.3
|
29.1
|
1.0
|
|
C
|
J:THR334
|
3.4
|
22.6
|
1.0
|
|
HB3
|
J:SER340
|
3.4
|
31.7
|
1.0
|
|
CG
|
J:ASP338
|
3.4
|
24.9
|
1.0
|
|
H
|
J:SER340
|
3.5
|
32.5
|
1.0
|
|
CB
|
J:SER340
|
3.5
|
26.4
|
1.0
|
|
C
|
J:PHE336
|
3.6
|
29.5
|
1.0
|
|
CG
|
I:ASP262
|
3.6
|
32.7
|
1.0
|
|
HA
|
I:LEU263
|
3.7
|
33.3
|
1.0
|
|
CB
|
J:THR334
|
3.8
|
22.3
|
1.0
|
|
OD2
|
J:ASP338
|
3.8
|
25.2
|
1.0
|
|
HA
|
I:ASP262
|
3.9
|
36.4
|
1.0
|
|
HD23
|
I:LEU263
|
4.0
|
33.4
|
1.0
|
|
N
|
J:PHE336
|
4.0
|
25.6
|
1.0
|
|
CA
|
J:THR334
|
4.0
|
23.5
|
1.0
|
|
H
|
J:THR334
|
4.0
|
30.5
|
1.0
|
|
CA
|
I:ASP262
|
4.1
|
30.3
|
1.0
|
|
N
|
J:ASP338
|
4.1
|
27.3
|
1.0
|
|
C
|
J:SER335
|
4.1
|
24.6
|
1.0
|
|
H
|
J:PHE336
|
4.2
|
30.7
|
1.0
|
|
HB2
|
J:PHE336
|
4.2
|
27.5
|
1.0
|
|
HA
|
J:VAL337
|
4.2
|
34.9
|
1.0
|
|
HB2
|
J:SER340
|
4.2
|
31.7
|
1.0
|
|
N
|
J:THR334
|
4.3
|
25.4
|
1.0
|
|
HB
|
J:THR334
|
4.3
|
26.9
|
1.0
|
|
N
|
I:LEU263
|
4.3
|
24.7
|
1.0
|
|
N
|
J:SER340
|
4.3
|
27.1
|
1.0
|
|
HB3
|
J:LEU333
|
4.3
|
33.8
|
1.0
|
|
CA
|
J:PHE336
|
4.3
|
24.7
|
1.0
|
|
CB
|
I:ASP262
|
4.3
|
34.5
|
1.0
|
|
N
|
J:SER335
|
4.3
|
26.5
|
1.0
|
|
O
|
J:SER335
|
4.4
|
24.9
|
1.0
|
|
O
|
I:HOH403
|
4.5
|
34.1
|
1.0
|
|
CA
|
I:LEU263
|
4.5
|
27.7
|
1.0
|
|
OD2
|
I:ASP262
|
4.5
|
36.1
|
1.0
|
|
HA
|
J:SER335
|
4.5
|
30.6
|
1.0
|
|
HG23
|
J:THR334
|
4.5
|
31.9
|
1.0
|
|
CA
|
J:SER340
|
4.5
|
28.9
|
1.0
|
|
CA
|
J:SER335
|
4.6
|
25.5
|
1.0
|
|
N
|
J:VAL337
|
4.6
|
25.5
|
1.0
|
|
CB
|
J:ASP338
|
4.6
|
27.4
|
1.0
|
|
HB3
|
I:ASP262
|
4.6
|
41.5
|
1.0
|
|
CG2
|
J:THR334
|
4.7
|
26.5
|
1.0
|
|
H
|
J:ALA339
|
4.7
|
27.9
|
1.0
|
|
CA
|
J:VAL337
|
4.8
|
29.1
|
1.0
|
|
CA
|
J:ASP338
|
4.8
|
29.1
|
1.0
|
|
CB
|
J:PHE336
|
4.8
|
22.9
|
1.0
|
|
HB3
|
J:ASP338
|
4.9
|
33.0
|
1.0
|
|
CD2
|
I:LEU263
|
4.9
|
27.8
|
1.0
|
|
HB2
|
J:LEU333
|
4.9
|
33.8
|
1.0
|
|
HA
|
J:THR334
|
4.9
|
28.2
|
1.0
|
|
N
|
J:ALA339
|
5.0
|
23.2
|
1.0
|
|
C
|
J:VAL337
|
5.0
|
24.6
|
1.0
|
|
HG21
|
J:THR334
|
5.0
|
31.9
|
1.0
|
|
Calcium binding site 5 out
of 8 in 7z53
Go back to
Calcium Binding Sites List in 7z53
Calcium 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 Calcium with other atoms in the Ca 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
|
N:Ca1001
b:25.0
occ:1.00
|
O
|
N:THR334
|
2.2
|
19.6
|
1.0
|
|
O
|
M:ASP262
|
2.3
|
24.2
|
1.0
|
|
OD1
|
M:ASP262
|
2.3
|
34.4
|
1.0
|
|
OD1
|
N:ASP338
|
2.3
|
18.9
|
1.0
|
|
O
|
N:PHE336
|
2.4
|
25.7
|
1.0
|
|
OG
|
N:SER340
|
2.4
|
18.2
|
1.0
|
|
OG1
|
N:THR334
|
2.6
|
22.6
|
1.0
|
|
HB3
|
N:SER340
|
3.1
|
26.6
|
1.0
|
|
C
|
N:THR334
|
3.2
|
20.1
|
1.0
|
|
H
|
N:ASP338
|
3.3
|
34.4
|
1.0
|
|
CB
|
N:SER340
|
3.3
|
22.1
|
1.0
|
|
CG
|
N:ASP338
|
3.4
|
22.4
|
1.0
|
|
C
|
M:ASP262
|
3.4
|
23.0
|
1.0
|
|
H
|
N:SER340
|
3.5
|
29.0
|
1.0
|
|
CG
|
M:ASP262
|
3.6
|
36.1
|
1.0
|
|
C
|
N:PHE336
|
3.6
|
22.5
|
1.0
|
|
CB
|
N:THR334
|
3.8
|
20.3
|
1.0
|
|
HA
|
M:LEU263
|
3.8
|
32.5
|
1.0
|
|
OD2
|
N:ASP338
|
3.9
|
20.3
|
1.0
|
|
CA
|
N:THR334
|
3.9
|
22.6
|
1.0
|
|
HB2
|
N:SER340
|
4.0
|
26.6
|
1.0
|
|
H
|
N:THR334
|
4.0
|
24.3
|
1.0
|
|
HA
|
M:ASP262
|
4.0
|
29.5
|
1.0
|
|
N
|
N:PHE336
|
4.1
|
28.3
|
1.0
|
|
C
|
N:SER335
|
4.1
|
23.3
|
1.0
|
|
N
|
N:ASP338
|
4.1
|
28.6
|
1.0
|
|
N
|
N:THR334
|
4.2
|
20.2
|
1.0
|
|
CA
|
M:ASP262
|
4.2
|
24.6
|
1.0
|
|
N
|
N:SER335
|
4.2
|
22.6
|
1.0
|
|
HD23
|
M:LEU263
|
4.2
|
30.6
|
1.0
|
|
HB3
|
N:LEU333
|
4.2
|
29.7
|
1.0
|
|
H
|
N:PHE336
|
4.2
|
34.0
|
1.0
|
|
HB
|
N:THR334
|
4.3
|
24.4
|
1.0
|
|
N
|
N:SER340
|
4.3
|
24.1
|
1.0
|
|
HA
|
N:VAL337
|
4.4
|
28.0
|
1.0
|
|
CB
|
M:ASP262
|
4.4
|
25.0
|
1.0
|
|
HA
|
N:SER335
|
4.4
|
28.4
|
1.0
|
|
O
|
N:SER335
|
4.4
|
23.6
|
1.0
|
|
CA
|
N:SER340
|
4.4
|
22.9
|
1.0
|
|
CA
|
N:PHE336
|
4.4
|
23.2
|
1.0
|
|
N
|
M:LEU263
|
4.4
|
25.4
|
1.0
|
|
CA
|
N:SER335
|
4.5
|
23.6
|
1.0
|
|
OD2
|
M:ASP262
|
4.5
|
36.9
|
1.0
|
|
HB2
|
N:PHE336
|
4.6
|
31.7
|
1.0
|
|
CA
|
M:LEU263
|
4.6
|
27.0
|
1.0
|
|
CB
|
N:ASP338
|
4.6
|
22.8
|
1.0
|
|
HB3
|
M:ASP262
|
4.6
|
30.1
|
1.0
|
|
N
|
N:VAL337
|
4.7
|
26.1
|
1.0
|
|
HG23
|
N:THR334
|
4.7
|
31.3
|
1.0
|
|
O
|
N:HOH1154
|
4.8
|
29.4
|
1.0
|
|
CA
|
N:ASP338
|
4.8
|
21.6
|
1.0
|
|
HA
|
N:THR334
|
4.8
|
27.2
|
1.0
|
|
CG2
|
N:THR334
|
4.8
|
26.1
|
1.0
|
|
CA
|
N:VAL337
|
4.9
|
23.3
|
1.0
|
|
H
|
N:SER335
|
4.9
|
27.2
|
1.0
|
|
HB3
|
N:ASP338
|
5.0
|
27.4
|
1.0
|
|
C
|
N:VAL337
|
5.0
|
26.6
|
1.0
|
|
Calcium binding site 6 out
of 8 in 7z53
Go back to
Calcium Binding Sites List in 7z53
Calcium 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 Calcium with other atoms in the Ca 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
|
P:Ca1001
b:26.8
occ:1.00
|
O
|
O:ASP262
|
2.3
|
27.4
|
1.0
|
|
O
|
P:THR334
|
2.3
|
29.3
|
1.0
|
|
OG
|
P:SER340
|
2.3
|
27.4
|
1.0
|
|
OG1
|
P:THR334
|
2.4
|
23.5
|
1.0
|
|
O
|
P:PHE336
|
2.4
|
27.8
|
1.0
|
|
OD1
|
O:ASP262
|
2.5
|
36.9
|
1.0
|
|
OD1
|
P:ASP338
|
2.5
|
24.2
|
1.0
|
|
C
|
P:THR334
|
3.2
|
26.5
|
1.0
|
|
HB3
|
P:SER340
|
3.3
|
30.5
|
1.0
|
|
CG
|
P:ASP338
|
3.4
|
31.6
|
1.0
|
|
H
|
P:ASP338
|
3.4
|
35.4
|
1.0
|
|
CB
|
P:SER340
|
3.4
|
25.4
|
1.0
|
|
H
|
P:SER340
|
3.4
|
38.7
|
1.0
|
|
C
|
O:ASP262
|
3.5
|
28.5
|
1.0
|
|
C
|
P:PHE336
|
3.5
|
31.7
|
1.0
|
|
CB
|
P:THR334
|
3.5
|
25.9
|
1.0
|
|
OD2
|
P:ASP338
|
3.7
|
27.3
|
1.0
|
|
CG
|
O:ASP262
|
3.7
|
38.2
|
1.0
|
|
H
|
P:PHE336
|
3.8
|
34.1
|
1.0
|
|
CA
|
P:THR334
|
3.8
|
26.9
|
1.0
|
|
N
|
P:PHE336
|
3.8
|
28.4
|
1.0
|
|
H
|
P:THR334
|
3.9
|
28.5
|
1.0
|
|
HB
|
P:THR334
|
3.9
|
31.1
|
1.0
|
|
HA
|
O:LEU263
|
3.9
|
36.0
|
1.0
|
|
HA
|
O:ASP262
|
4.0
|
30.7
|
1.0
|
|
HB2
|
P:SER340
|
4.0
|
30.5
|
1.0
|
|
C
|
P:SER335
|
4.1
|
26.2
|
1.0
|
|
N
|
P:THR334
|
4.1
|
23.7
|
1.0
|
|
N
|
P:ASP338
|
4.2
|
29.5
|
1.0
|
|
N
|
P:SER335
|
4.2
|
22.4
|
1.0
|
|
N
|
P:SER340
|
4.2
|
32.2
|
1.0
|
|
CA
|
P:PHE336
|
4.2
|
28.4
|
1.0
|
|
CA
|
O:ASP262
|
4.2
|
25.6
|
1.0
|
|
HD23
|
O:LEU263
|
4.3
|
29.5
|
1.0
|
|
HB2
|
P:PHE336
|
4.3
|
33.9
|
1.0
|
|
HB3
|
P:LEU333
|
4.3
|
25.4
|
1.0
|
|
HA
|
P:VAL337
|
4.3
|
34.9
|
1.0
|
|
CA
|
P:SER340
|
4.4
|
29.0
|
1.0
|
|
HA
|
P:SER335
|
4.4
|
30.9
|
1.0
|
|
N
|
O:LEU263
|
4.5
|
29.0
|
1.0
|
|
CA
|
P:SER335
|
4.5
|
25.7
|
1.0
|
|
CB
|
O:ASP262
|
4.5
|
28.7
|
1.0
|
|
O
|
P:SER335
|
4.6
|
28.9
|
1.0
|
|
CB
|
P:ASP338
|
4.6
|
34.0
|
1.0
|
|
N
|
P:VAL337
|
4.6
|
26.6
|
1.0
|
|
OD2
|
O:ASP262
|
4.6
|
39.2
|
1.0
|
|
CA
|
O:LEU263
|
4.7
|
30.0
|
1.0
|
|
CG2
|
P:THR334
|
4.7
|
28.1
|
1.0
|
|
HG23
|
P:THR334
|
4.7
|
33.7
|
1.0
|
|
HA
|
P:THR334
|
4.7
|
32.3
|
1.0
|
|
O
|
O:HOH405
|
4.7
|
28.3
|
1.0
|
|
CB
|
P:PHE336
|
4.8
|
28.2
|
1.0
|
|
CA
|
P:ASP338
|
4.8
|
36.6
|
1.0
|
|
HB3
|
P:ASP338
|
4.8
|
40.8
|
1.0
|
|
CA
|
P:VAL337
|
4.8
|
29.1
|
1.0
|
|
H
|
P:SER335
|
4.9
|
27.0
|
1.0
|
|
HB3
|
O:ASP262
|
4.9
|
34.5
|
1.0
|
|
HG21
|
P:THR334
|
4.9
|
33.7
|
1.0
|
|
HB2
|
P:LEU333
|
5.0
|
25.4
|
1.0
|
|
Calcium binding site 7 out
of 8 in 7z53
Go back to
Calcium Binding Sites List in 7z53
Calcium 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 Calcium with other atoms in the Ca 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
|
T:Ca1001
b:25.1
occ:1.00
|
O
|
S:ASP262
|
2.2
|
26.8
|
1.0
|
|
OG
|
T:SER340
|
2.3
|
27.1
|
1.0
|
|
O
|
T:THR334
|
2.4
|
23.4
|
1.0
|
|
OD1
|
S:ASP262
|
2.4
|
38.9
|
1.0
|
|
O
|
T:PHE336
|
2.4
|
25.4
|
1.0
|
|
OG1
|
T:THR334
|
2.4
|
18.2
|
1.0
|
|
OD1
|
T:ASP338
|
2.4
|
30.8
|
1.0
|
|
C
|
T:THR334
|
3.3
|
19.9
|
1.0
|
|
H
|
T:ASP338
|
3.4
|
31.7
|
1.0
|
|
C
|
S:ASP262
|
3.4
|
28.6
|
1.0
|
|
CG
|
T:ASP338
|
3.5
|
25.3
|
1.0
|
|
CB
|
T:SER340
|
3.5
|
24.3
|
1.0
|
|
HB3
|
T:SER340
|
3.5
|
29.3
|
1.0
|
|
H
|
T:SER340
|
3.5
|
33.5
|
1.0
|
|
C
|
T:PHE336
|
3.6
|
25.9
|
1.0
|
|
CG
|
S:ASP262
|
3.6
|
38.1
|
1.0
|
|
CB
|
T:THR334
|
3.6
|
20.5
|
1.0
|
|
H
|
T:THR334
|
3.8
|
26.0
|
1.0
|
|
CA
|
T:THR334
|
3.8
|
20.5
|
1.0
|
|
HA
|
S:ASP262
|
3.9
|
30.9
|
1.0
|
|
OD2
|
T:ASP338
|
3.9
|
24.5
|
1.0
|
|
N
|
T:PHE336
|
3.9
|
25.6
|
1.0
|
|
HA
|
S:LEU263
|
3.9
|
28.2
|
1.0
|
|
HB
|
T:THR334
|
4.0
|
24.7
|
1.0
|
|
H
|
T:PHE336
|
4.0
|
30.8
|
1.0
|
|
C
|
T:SER335
|
4.0
|
21.4
|
1.0
|
|
HB2
|
T:SER340
|
4.0
|
29.3
|
1.0
|
|
N
|
T:THR334
|
4.1
|
21.6
|
1.0
|
|
CA
|
S:ASP262
|
4.1
|
25.8
|
1.0
|
|
HD23
|
S:LEU263
|
4.2
|
36.0
|
1.0
|
|
N
|
T:ASP338
|
4.2
|
26.4
|
1.0
|
|
N
|
T:SER335
|
4.3
|
23.9
|
1.0
|
|
CA
|
T:PHE336
|
4.3
|
21.2
|
1.0
|
|
N
|
T:SER340
|
4.3
|
27.9
|
1.0
|
|
O
|
T:SER335
|
4.3
|
25.6
|
1.0
|
|
HB2
|
T:PHE336
|
4.3
|
25.9
|
1.0
|
|
HA
|
T:VAL337
|
4.3
|
30.7
|
1.0
|
|
HB3
|
T:LEU333
|
4.3
|
23.8
|
1.0
|
|
CB
|
S:ASP262
|
4.4
|
28.1
|
1.0
|
|
N
|
S:LEU263
|
4.4
|
23.9
|
1.0
|
|
OD2
|
S:ASP262
|
4.4
|
36.3
|
1.0
|
|
CA
|
T:SER340
|
4.5
|
25.4
|
1.0
|
|
HA
|
T:SER335
|
4.5
|
29.3
|
1.0
|
|
CA
|
T:SER335
|
4.5
|
24.4
|
1.0
|
|
N
|
T:VAL337
|
4.6
|
27.0
|
1.0
|
|
HG23
|
T:THR334
|
4.6
|
27.5
|
1.0
|
|
CA
|
S:LEU263
|
4.6
|
23.5
|
1.0
|
|
CG2
|
T:THR334
|
4.7
|
22.9
|
1.0
|
|
CB
|
T:ASP338
|
4.7
|
29.1
|
1.0
|
|
HB3
|
S:ASP262
|
4.8
|
33.8
|
1.0
|
|
O
|
S:HOH413
|
4.8
|
31.1
|
1.0
|
|
HA
|
T:THR334
|
4.8
|
24.7
|
1.0
|
|
CA
|
T:VAL337
|
4.8
|
25.6
|
1.0
|
|
CB
|
T:PHE336
|
4.9
|
21.5
|
1.0
|
|
CA
|
T:ASP338
|
4.9
|
24.9
|
1.0
|
|
H
|
T:ALA339
|
4.9
|
31.4
|
1.0
|
|
HG21
|
T:THR334
|
4.9
|
27.5
|
1.0
|
|
HB3
|
T:ASP338
|
5.0
|
35.0
|
1.0
|
|
H
|
T:SER335
|
5.0
|
28.7
|
1.0
|
|
Calcium binding site 8 out
of 8 in 7z53
Go back to
Calcium Binding Sites List in 7z53
Calcium 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 Calcium with other atoms in the Ca 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
|
V:Ca802
b:23.9
occ:1.00
|
O
|
V:THR334
|
2.1
|
24.5
|
1.0
|
|
OG
|
V:SER340
|
2.3
|
24.4
|
1.0
|
|
O
|
V:PHE336
|
2.3
|
28.3
|
1.0
|
|
O
|
U:ASP262
|
2.3
|
20.2
|
1.0
|
|
OG1
|
V:THR334
|
2.4
|
27.1
|
1.0
|
|
OD1
|
V:ASP338
|
2.4
|
30.2
|
1.0
|
|
OD1
|
U:ASP262
|
2.5
|
36.7
|
1.0
|
|
C
|
V:THR334
|
3.1
|
27.3
|
1.0
|
|
CG
|
V:ASP338
|
3.3
|
29.5
|
1.0
|
|
HB3
|
V:SER340
|
3.4
|
33.2
|
1.0
|
|
CB
|
V:SER340
|
3.4
|
27.7
|
1.0
|
|
C
|
V:PHE336
|
3.5
|
28.7
|
1.0
|
|
C
|
U:ASP262
|
3.5
|
21.0
|
1.0
|
|
CB
|
V:THR334
|
3.5
|
20.7
|
1.0
|
|
H
|
V:ASP338
|
3.6
|
34.6
|
1.0
|
|
OD2
|
V:ASP338
|
3.6
|
25.0
|
1.0
|
|
CG
|
U:ASP262
|
3.6
|
36.6
|
1.0
|
|
H
|
V:SER340
|
3.7
|
32.8
|
1.0
|
|
CA
|
V:THR334
|
3.7
|
21.6
|
1.0
|
|
H
|
V:THR334
|
3.8
|
25.5
|
1.0
|
|
N
|
V:PHE336
|
3.8
|
26.7
|
1.0
|
|
H
|
V:PHE336
|
3.9
|
32.1
|
1.0
|
|
C
|
V:SER335
|
3.9
|
27.9
|
1.0
|
|
HA
|
U:LEU263
|
3.9
|
31.6
|
1.0
|
|
HB2
|
V:SER340
|
4.0
|
33.2
|
1.0
|
|
N
|
V:THR334
|
4.0
|
21.2
|
1.0
|
|
HB
|
V:THR334
|
4.0
|
24.9
|
1.0
|
|
HA
|
U:ASP262
|
4.1
|
27.9
|
1.0
|
|
HB2
|
V:PHE336
|
4.1
|
35.8
|
1.0
|
|
N
|
V:SER335
|
4.1
|
24.9
|
1.0
|
|
CA
|
V:PHE336
|
4.1
|
24.8
|
1.0
|
|
O
|
V:SER335
|
4.2
|
33.0
|
1.0
|
|
CA
|
U:ASP262
|
4.3
|
23.2
|
1.0
|
|
N
|
V:ASP338
|
4.3
|
28.8
|
1.0
|
|
HD23
|
U:LEU263
|
4.3
|
30.8
|
1.0
|
|
HB3
|
V:LEU333
|
4.4
|
28.2
|
1.0
|
|
HA
|
V:SER335
|
4.4
|
35.2
|
1.0
|
|
HA
|
V:VAL337
|
4.4
|
29.5
|
1.0
|
|
N
|
V:SER340
|
4.4
|
27.3
|
1.0
|
|
CA
|
V:SER335
|
4.4
|
29.3
|
1.0
|
|
OD2
|
U:ASP262
|
4.5
|
40.5
|
1.0
|
|
HG23
|
V:THR334
|
4.5
|
31.1
|
1.0
|
|
N
|
U:LEU263
|
4.5
|
24.6
|
1.0
|
|
CB
|
U:ASP262
|
4.5
|
24.4
|
1.0
|
|
CA
|
V:SER340
|
4.5
|
29.4
|
1.0
|
|
N
|
V:VAL337
|
4.6
|
24.5
|
1.0
|
|
CB
|
V:ASP338
|
4.6
|
28.0
|
1.0
|
|
CG2
|
V:THR334
|
4.6
|
25.9
|
1.0
|
|
HA
|
V:THR334
|
4.6
|
25.9
|
1.0
|
|
CA
|
U:LEU263
|
4.7
|
26.3
|
1.0
|
|
CB
|
V:PHE336
|
4.7
|
29.8
|
1.0
|
|
HB3
|
V:ASP338
|
4.8
|
33.7
|
1.0
|
|
O
|
U:HOH422
|
4.8
|
26.9
|
1.0
|
|
CA
|
V:VAL337
|
4.9
|
24.5
|
1.0
|
|
HB3
|
U:ASP262
|
4.9
|
29.3
|
1.0
|
|
H
|
V:SER335
|
4.9
|
29.9
|
1.0
|
|
HG21
|
V:THR334
|
4.9
|
31.1
|
1.0
|
|
CA
|
V:ASP338
|
4.9
|
26.4
|
1.0
|
|
HB2
|
V:LEU333
|
4.9
|
28.2
|
1.0
|
|
H
|
V:ALA339
|
5.0
|
28.2
|
1.0
|
|
HA
|
V:PHE336
|
5.0
|
29.8
|
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 Jul 19 06:27:33 2024
|
