Chlorine 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:
Chlorine Binding Sites:
The binding sites of Chlorine 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 Chlorine atom.
In total 8 binding sites of Chlorine 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 Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Chlorine binding site 1 out
of 8 in 7z53
Go back to
Chlorine Binding Sites List in 7z53
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl3001
b:20.0
occ:1.00
|
H
|
A:TRP198
|
2.4
|
23.0
|
1.0
|
H
|
B:VAL493
|
2.5
|
27.4
|
1.0
|
O
|
A:HOH3125
|
2.8
|
20.4
|
1.0
|
HH2
|
B:TRP602
|
2.9
|
26.2
|
1.0
|
HA
|
A:ARG197
|
2.9
|
34.0
|
1.0
|
HB3
|
B:ASN492
|
3.0
|
25.1
|
1.0
|
HG12
|
B:VAL493
|
3.1
|
22.4
|
1.0
|
N
|
A:TRP198
|
3.1
|
19.1
|
1.0
|
HB
|
B:VAL493
|
3.2
|
23.4
|
1.0
|
H
|
A:LEU199
|
3.2
|
23.7
|
1.0
|
N
|
B:VAL493
|
3.3
|
22.8
|
1.0
|
H
|
B:ASN492
|
3.3
|
24.6
|
1.0
|
HB2
|
A:TRP198
|
3.3
|
25.9
|
1.0
|
HB1
|
B:ALA491
|
3.5
|
26.4
|
1.0
|
HD3
|
A:ARG197
|
3.5
|
30.3
|
1.0
|
CH2
|
B:TRP602
|
3.7
|
21.8
|
1.0
|
N
|
B:ASN492
|
3.7
|
20.4
|
1.0
|
CB
|
B:ASN492
|
3.7
|
20.9
|
1.0
|
CG1
|
B:VAL493
|
3.7
|
18.6
|
1.0
|
CA
|
A:ARG197
|
3.8
|
28.3
|
1.0
|
HZ2
|
B:TRP602
|
3.8
|
29.6
|
1.0
|
CB
|
B:VAL493
|
3.8
|
19.5
|
1.0
|
HB2
|
B:ASN492
|
3.9
|
25.1
|
1.0
|
HG11
|
B:VAL493
|
3.9
|
22.4
|
1.0
|
C
|
A:ARG197
|
3.9
|
19.1
|
1.0
|
O
|
A:VAL196
|
4.0
|
23.9
|
1.0
|
N
|
A:LEU199
|
4.0
|
19.7
|
1.0
|
HH11
|
A:ARG197
|
4.0
|
30.7
|
1.0
|
CA
|
B:ASN492
|
4.1
|
18.9
|
1.0
|
CA
|
A:TRP198
|
4.1
|
20.8
|
1.0
|
CB
|
A:TRP198
|
4.1
|
21.5
|
1.0
|
C
|
B:ASN492
|
4.1
|
22.3
|
1.0
|
CA
|
B:VAL493
|
4.1
|
21.4
|
1.0
|
CZ2
|
B:TRP602
|
4.1
|
24.6
|
1.0
|
HD22
|
B:LEU596
|
4.1
|
28.3
|
1.0
|
HD2
|
A:ARG197
|
4.3
|
30.3
|
1.0
|
CD
|
A:ARG197
|
4.3
|
25.2
|
1.0
|
HB3
|
A:ARG197
|
4.3
|
28.9
|
1.0
|
HD21
|
B:LEU596
|
4.4
|
28.3
|
1.0
|
CB
|
B:ALA491
|
4.4
|
21.9
|
1.0
|
O
|
A:LEU199
|
4.5
|
23.3
|
1.0
|
C
|
A:TRP198
|
4.5
|
20.9
|
1.0
|
CB
|
A:ARG197
|
4.6
|
24.1
|
1.0
|
HD23
|
B:LEU596
|
4.6
|
28.3
|
1.0
|
C
|
B:ALA491
|
4.6
|
21.9
|
1.0
|
CD2
|
B:LEU596
|
4.6
|
23.5
|
1.0
|
HA
|
B:VAL493
|
4.6
|
25.7
|
1.0
|
HG13
|
B:VAL493
|
4.6
|
22.4
|
1.0
|
CG
|
A:TRP198
|
4.8
|
17.3
|
1.0
|
N
|
A:ARG197
|
4.8
|
28.4
|
1.0
|
HB2
|
A:LEU199
|
4.8
|
24.5
|
1.0
|
CZ3
|
B:TRP602
|
4.8
|
17.2
|
1.0
|
HB3
|
B:ALA491
|
4.8
|
26.4
|
1.0
|
NH1
|
A:ARG197
|
4.8
|
25.6
|
1.0
|
HA
|
B:ALA491
|
4.8
|
25.4
|
1.0
|
C
|
A:VAL196
|
4.8
|
27.9
|
1.0
|
HB3
|
A:TRP198
|
4.8
|
25.9
|
1.0
|
HZ3
|
B:TRP602
|
4.9
|
20.7
|
1.0
|
CA
|
B:ALA491
|
4.9
|
21.1
|
1.0
|
HA
|
A:TRP198
|
4.9
|
25.0
|
1.0
|
CG
|
A:ARG197
|
5.0
|
23.8
|
1.0
|
CG
|
B:ASN492
|
5.0
|
22.4
|
1.0
|
|
Chlorine binding site 2 out
of 8 in 7z53
Go back to
Chlorine Binding Sites List in 7z53
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl301
b:22.3
occ:1.00
|
H
|
C:TRP198
|
2.3
|
24.6
|
1.0
|
H
|
D:VAL493
|
2.4
|
31.7
|
1.0
|
HH2
|
D:TRP602
|
2.8
|
27.7
|
1.0
|
HB3
|
D:ASN492
|
2.9
|
29.2
|
1.0
|
HA
|
C:ARG197
|
2.9
|
31.2
|
1.0
|
HB
|
D:VAL493
|
3.1
|
28.4
|
1.0
|
O
|
C:HOH410
|
3.1
|
22.6
|
1.0
|
N
|
C:TRP198
|
3.1
|
20.5
|
1.0
|
HG12
|
D:VAL493
|
3.2
|
32.2
|
1.0
|
N
|
D:VAL493
|
3.2
|
26.4
|
1.0
|
H
|
D:ASN492
|
3.3
|
33.0
|
1.0
|
HB2
|
C:TRP198
|
3.4
|
24.7
|
1.0
|
H
|
C:LEU199
|
3.4
|
31.6
|
1.0
|
HD3
|
C:ARG197
|
3.5
|
35.4
|
1.0
|
CH2
|
D:TRP602
|
3.6
|
23.0
|
1.0
|
HB1
|
D:ALA491
|
3.6
|
27.7
|
1.0
|
CB
|
D:ASN492
|
3.7
|
24.3
|
1.0
|
N
|
D:ASN492
|
3.7
|
27.5
|
1.0
|
CB
|
D:VAL493
|
3.7
|
23.6
|
1.0
|
CA
|
C:ARG197
|
3.8
|
26.0
|
1.0
|
CG1
|
D:VAL493
|
3.8
|
26.8
|
1.0
|
HZ2
|
D:TRP602
|
3.8
|
30.7
|
1.0
|
HB2
|
D:ASN492
|
3.8
|
29.2
|
1.0
|
HG11
|
D:VAL493
|
3.8
|
32.2
|
1.0
|
C
|
C:ARG197
|
3.9
|
24.0
|
1.0
|
HD21
|
D:LEU596
|
3.9
|
31.6
|
1.0
|
HD22
|
D:LEU596
|
3.9
|
31.6
|
1.0
|
CA
|
D:ASN492
|
4.0
|
27.8
|
1.0
|
CZ2
|
D:TRP602
|
4.1
|
25.6
|
1.0
|
HH11
|
C:ARG197
|
4.1
|
27.6
|
1.0
|
CA
|
D:VAL493
|
4.1
|
24.6
|
1.0
|
O
|
C:VAL196
|
4.1
|
17.3
|
1.0
|
C
|
D:ASN492
|
4.1
|
26.3
|
1.0
|
HD23
|
D:LEU596
|
4.1
|
31.6
|
1.0
|
CA
|
C:TRP198
|
4.1
|
26.7
|
1.0
|
CB
|
C:TRP198
|
4.1
|
20.5
|
1.0
|
N
|
C:LEU199
|
4.2
|
26.3
|
1.0
|
CD2
|
D:LEU596
|
4.2
|
26.3
|
1.0
|
HB3
|
C:ARG197
|
4.3
|
32.4
|
1.0
|
CD
|
C:ARG197
|
4.3
|
29.5
|
1.0
|
HD2
|
C:ARG197
|
4.3
|
35.4
|
1.0
|
O
|
C:LEU199
|
4.5
|
27.1
|
1.0
|
HA
|
D:VAL493
|
4.5
|
29.6
|
1.0
|
CB
|
D:ALA491
|
4.5
|
23.0
|
1.0
|
CB
|
C:ARG197
|
4.5
|
27.0
|
1.0
|
C
|
D:ALA491
|
4.5
|
19.2
|
1.0
|
HB2
|
C:LEU199
|
4.6
|
27.1
|
1.0
|
C
|
C:TRP198
|
4.7
|
29.4
|
1.0
|
CZ3
|
D:TRP602
|
4.7
|
21.1
|
1.0
|
HG13
|
D:VAL493
|
4.7
|
32.2
|
1.0
|
CG
|
C:TRP198
|
4.7
|
20.0
|
1.0
|
HZ3
|
D:TRP602
|
4.7
|
25.4
|
1.0
|
HB3
|
D:ALA491
|
4.8
|
27.7
|
1.0
|
N
|
C:ARG197
|
4.8
|
26.4
|
1.0
|
NH1
|
C:ARG197
|
4.9
|
22.9
|
1.0
|
HA
|
D:ALA491
|
4.9
|
27.1
|
1.0
|
C
|
C:VAL196
|
4.9
|
25.2
|
1.0
|
HB3
|
C:TRP198
|
4.9
|
24.7
|
1.0
|
CG
|
D:ASN492
|
4.9
|
27.3
|
1.0
|
CG
|
C:ARG197
|
4.9
|
30.5
|
1.0
|
HA
|
C:TRP198
|
4.9
|
32.0
|
1.0
|
CA
|
D:ALA491
|
4.9
|
22.5
|
1.0
|
HA
|
D:ASN492
|
5.0
|
33.4
|
1.0
|
|
Chlorine binding site 3 out
of 8 in 7z53
Go back to
Chlorine Binding Sites List in 7z53
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl301
b:25.2
occ:1.00
|
H
|
H:VAL493
|
2.3
|
33.6
|
1.0
|
H
|
G:TRP198
|
2.4
|
27.3
|
1.0
|
HB3
|
H:ASN492
|
2.8
|
27.9
|
1.0
|
HA
|
G:ARG197
|
2.8
|
31.1
|
1.0
|
HH2
|
H:TRP602
|
3.1
|
30.2
|
1.0
|
HB
|
H:VAL493
|
3.1
|
33.6
|
1.0
|
N
|
H:VAL493
|
3.1
|
27.9
|
1.0
|
O
|
G:HOH407
|
3.1
|
19.6
|
1.0
|
H
|
H:ASN492
|
3.1
|
34.7
|
1.0
|
HG12
|
H:VAL493
|
3.2
|
31.3
|
1.0
|
N
|
G:TRP198
|
3.3
|
23.0
|
1.0
|
H
|
G:LEU199
|
3.5
|
29.9
|
1.0
|
HD3
|
G:ARG197
|
3.5
|
31.2
|
1.0
|
HB1
|
H:ALA491
|
3.5
|
32.4
|
1.0
|
N
|
H:ASN492
|
3.5
|
28.9
|
1.0
|
CB
|
H:ASN492
|
3.6
|
23.2
|
1.0
|
HB2
|
G:TRP198
|
3.7
|
30.0
|
1.0
|
CA
|
G:ARG197
|
3.7
|
25.9
|
1.0
|
CB
|
H:VAL493
|
3.7
|
28.0
|
1.0
|
HZ2
|
H:TRP602
|
3.7
|
30.9
|
1.0
|
CG1
|
H:VAL493
|
3.8
|
26.1
|
1.0
|
HB2
|
H:ASN492
|
3.8
|
27.9
|
1.0
|
CH2
|
H:TRP602
|
3.8
|
25.1
|
1.0
|
CA
|
H:ASN492
|
3.8
|
24.6
|
1.0
|
C
|
H:ASN492
|
3.9
|
24.5
|
1.0
|
HG11
|
H:VAL493
|
3.9
|
31.3
|
1.0
|
HD22
|
H:LEU596
|
3.9
|
26.8
|
1.0
|
O
|
G:VAL196
|
3.9
|
30.5
|
1.0
|
C
|
G:ARG197
|
4.0
|
26.2
|
1.0
|
CA
|
H:VAL493
|
4.0
|
23.7
|
1.0
|
HH11
|
G:ARG197
|
4.0
|
29.2
|
1.0
|
HD21
|
H:LEU596
|
4.2
|
26.8
|
1.0
|
HD2
|
G:ARG197
|
4.2
|
31.2
|
1.0
|
CZ2
|
H:TRP602
|
4.2
|
25.8
|
1.0
|
HB3
|
G:ARG197
|
4.2
|
31.4
|
1.0
|
CD
|
G:ARG197
|
4.2
|
25.9
|
1.0
|
CA
|
G:TRP198
|
4.3
|
26.6
|
1.0
|
HD23
|
H:LEU596
|
4.3
|
26.8
|
1.0
|
N
|
G:LEU199
|
4.3
|
24.9
|
1.0
|
CD2
|
H:LEU596
|
4.3
|
22.3
|
1.0
|
C
|
H:ALA491
|
4.3
|
32.6
|
1.0
|
CB
|
G:TRP198
|
4.4
|
25.0
|
1.0
|
CB
|
H:ALA491
|
4.4
|
27.0
|
1.0
|
HA
|
H:VAL493
|
4.4
|
28.4
|
1.0
|
CB
|
G:ARG197
|
4.4
|
26.2
|
1.0
|
O
|
G:LEU199
|
4.6
|
31.3
|
1.0
|
HG13
|
H:VAL493
|
4.7
|
31.3
|
1.0
|
N
|
G:ARG197
|
4.7
|
23.4
|
1.0
|
HA
|
H:ALA491
|
4.7
|
34.1
|
1.0
|
C
|
G:VAL196
|
4.7
|
24.9
|
1.0
|
HB3
|
H:ALA491
|
4.7
|
32.4
|
1.0
|
C
|
G:TRP198
|
4.8
|
25.3
|
1.0
|
CA
|
H:ALA491
|
4.8
|
28.4
|
1.0
|
CG
|
H:ASN492
|
4.8
|
30.6
|
1.0
|
HA
|
H:ASN492
|
4.8
|
29.6
|
1.0
|
NH1
|
G:ARG197
|
4.8
|
24.3
|
1.0
|
CG
|
G:TRP198
|
4.9
|
23.9
|
1.0
|
CG
|
G:ARG197
|
4.9
|
23.4
|
1.0
|
|
Chlorine binding site 4 out
of 8 in 7z53
Go back to
Chlorine Binding Sites List in 7z53
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl301
b:25.5
occ:1.00
|
H
|
J:VAL493
|
2.5
|
40.0
|
1.0
|
H
|
I:TRP198
|
2.6
|
32.6
|
1.0
|
HH2
|
J:TRP602
|
2.9
|
38.2
|
1.0
|
HB3
|
J:ASN492
|
2.9
|
27.9
|
1.0
|
O
|
I:HOH409
|
2.9
|
25.0
|
1.0
|
HA
|
I:ARG197
|
3.1
|
34.0
|
1.0
|
HB
|
J:VAL493
|
3.1
|
33.8
|
1.0
|
HG12
|
J:VAL493
|
3.2
|
35.2
|
1.0
|
N
|
J:VAL493
|
3.2
|
33.3
|
1.0
|
N
|
I:TRP198
|
3.3
|
27.1
|
1.0
|
H
|
I:LEU199
|
3.3
|
35.6
|
1.0
|
HB2
|
I:TRP198
|
3.4
|
33.5
|
1.0
|
H
|
J:ASN492
|
3.4
|
30.6
|
1.0
|
HB1
|
J:ALA491
|
3.5
|
31.9
|
1.0
|
HZ2
|
J:TRP602
|
3.6
|
40.9
|
1.0
|
HD3
|
I:ARG197
|
3.6
|
37.4
|
1.0
|
CH2
|
J:TRP602
|
3.7
|
31.8
|
1.0
|
CB
|
J:ASN492
|
3.7
|
23.2
|
1.0
|
CB
|
J:VAL493
|
3.7
|
28.1
|
1.0
|
CG1
|
J:VAL493
|
3.7
|
29.3
|
1.0
|
HG11
|
J:VAL493
|
3.8
|
35.2
|
1.0
|
N
|
J:ASN492
|
3.8
|
25.5
|
1.0
|
HB2
|
J:ASN492
|
3.8
|
27.9
|
1.0
|
CA
|
I:ARG197
|
3.9
|
28.3
|
1.0
|
HD22
|
J:LEU596
|
4.0
|
37.7
|
1.0
|
CZ2
|
J:TRP602
|
4.0
|
34.0
|
1.0
|
HH11
|
I:ARG197
|
4.0
|
37.8
|
1.0
|
C
|
I:ARG197
|
4.1
|
29.6
|
1.0
|
CA
|
J:ASN492
|
4.1
|
27.0
|
1.0
|
CA
|
J:VAL493
|
4.1
|
28.3
|
1.0
|
HD21
|
J:LEU596
|
4.1
|
37.7
|
1.0
|
N
|
I:LEU199
|
4.1
|
29.7
|
1.0
|
O
|
I:VAL196
|
4.1
|
27.0
|
1.0
|
C
|
J:ASN492
|
4.1
|
27.4
|
1.0
|
CA
|
I:TRP198
|
4.2
|
31.5
|
1.0
|
CB
|
I:TRP198
|
4.2
|
27.9
|
1.0
|
CD2
|
J:LEU596
|
4.4
|
31.4
|
1.0
|
HD23
|
J:LEU596
|
4.4
|
37.7
|
1.0
|
HA
|
J:VAL493
|
4.5
|
34.0
|
1.0
|
CB
|
J:ALA491
|
4.5
|
26.5
|
1.0
|
CD
|
I:ARG197
|
4.5
|
31.1
|
1.0
|
HB3
|
I:ARG197
|
4.5
|
37.4
|
1.0
|
O
|
I:LEU199
|
4.6
|
32.1
|
1.0
|
C
|
J:ALA491
|
4.6
|
27.1
|
1.0
|
C
|
I:TRP198
|
4.6
|
28.5
|
1.0
|
HD2
|
I:ARG197
|
4.7
|
37.4
|
1.0
|
HG13
|
J:VAL493
|
4.7
|
35.2
|
1.0
|
HA
|
J:ALA491
|
4.7
|
30.8
|
1.0
|
CB
|
I:ARG197
|
4.7
|
31.2
|
1.0
|
HB2
|
I:LEU199
|
4.7
|
32.8
|
1.0
|
CG
|
I:TRP198
|
4.8
|
29.9
|
1.0
|
HB3
|
J:ALA491
|
4.8
|
31.9
|
1.0
|
CZ3
|
J:TRP602
|
4.8
|
35.1
|
1.0
|
NH1
|
I:ARG197
|
4.8
|
31.5
|
1.0
|
CA
|
J:ALA491
|
4.9
|
25.6
|
1.0
|
CG
|
J:ASN492
|
4.9
|
31.5
|
1.0
|
N
|
I:ARG197
|
4.9
|
27.9
|
1.0
|
HB3
|
I:TRP198
|
4.9
|
33.5
|
1.0
|
C
|
I:VAL196
|
4.9
|
31.6
|
1.0
|
HZ3
|
J:TRP602
|
5.0
|
42.1
|
1.0
|
|
Chlorine binding site 5 out
of 8 in 7z53
Go back to
Chlorine Binding Sites List in 7z53
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl301
b:20.2
occ:1.00
|
H
|
M:TRP198
|
2.4
|
25.0
|
1.0
|
H
|
N:VAL493
|
2.5
|
24.7
|
1.0
|
HB3
|
N:ASN492
|
2.9
|
22.0
|
1.0
|
HA
|
M:ARG197
|
2.9
|
26.0
|
1.0
|
HG12
|
N:VAL493
|
3.0
|
28.0
|
1.0
|
HH2
|
N:TRP602
|
3.0
|
22.2
|
1.0
|
O
|
M:HOH415
|
3.1
|
19.6
|
1.0
|
HB
|
N:VAL493
|
3.1
|
24.0
|
1.0
|
H
|
N:ASN492
|
3.2
|
25.1
|
1.0
|
N
|
M:TRP198
|
3.2
|
20.8
|
1.0
|
N
|
N:VAL493
|
3.2
|
20.6
|
1.0
|
HB1
|
N:ALA491
|
3.3
|
26.0
|
1.0
|
H
|
M:LEU199
|
3.4
|
25.5
|
1.0
|
HB2
|
M:TRP198
|
3.4
|
23.4
|
1.0
|
HD3
|
M:ARG197
|
3.5
|
29.6
|
1.0
|
N
|
N:ASN492
|
3.6
|
20.9
|
1.0
|
CG1
|
N:VAL493
|
3.6
|
23.3
|
1.0
|
CB
|
N:ASN492
|
3.7
|
18.3
|
1.0
|
CB
|
N:VAL493
|
3.7
|
20.0
|
1.0
|
HB2
|
N:ASN492
|
3.7
|
22.0
|
1.0
|
CA
|
M:ARG197
|
3.8
|
21.6
|
1.0
|
HZ2
|
N:TRP602
|
3.8
|
24.6
|
1.0
|
HG11
|
N:VAL493
|
3.8
|
28.0
|
1.0
|
CH2
|
N:TRP602
|
3.8
|
18.4
|
1.0
|
C
|
M:ARG197
|
4.0
|
17.7
|
1.0
|
CA
|
N:ASN492
|
4.0
|
18.6
|
1.0
|
O
|
M:VAL196
|
4.0
|
23.4
|
1.0
|
HD22
|
N:LEU596
|
4.1
|
26.9
|
1.0
|
C
|
N:ASN492
|
4.1
|
20.1
|
1.0
|
CA
|
N:VAL493
|
4.1
|
21.3
|
1.0
|
N
|
M:LEU199
|
4.1
|
21.2
|
1.0
|
HD21
|
N:LEU596
|
4.2
|
26.9
|
1.0
|
CA
|
M:TRP198
|
4.2
|
19.8
|
1.0
|
CB
|
M:TRP198
|
4.2
|
19.4
|
1.0
|
CZ2
|
N:TRP602
|
4.2
|
20.5
|
1.0
|
HH11
|
M:ARG197
|
4.2
|
29.2
|
1.0
|
HD23
|
N:LEU596
|
4.3
|
26.9
|
1.0
|
CB
|
N:ALA491
|
4.3
|
21.7
|
1.0
|
CD
|
M:ARG197
|
4.3
|
24.7
|
1.0
|
HB3
|
M:ARG197
|
4.3
|
24.3
|
1.0
|
CD2
|
N:LEU596
|
4.4
|
22.4
|
1.0
|
HD2
|
M:ARG197
|
4.4
|
29.6
|
1.0
|
C
|
N:ALA491
|
4.5
|
20.0
|
1.0
|
O
|
M:LEU199
|
4.5
|
18.0
|
1.0
|
HG13
|
N:VAL493
|
4.5
|
28.0
|
1.0
|
CB
|
M:ARG197
|
4.5
|
20.2
|
1.0
|
HA
|
N:VAL493
|
4.5
|
25.6
|
1.0
|
HB2
|
M:LEU199
|
4.6
|
19.8
|
1.0
|
C
|
M:TRP198
|
4.6
|
22.5
|
1.0
|
HB3
|
N:ALA491
|
4.7
|
26.0
|
1.0
|
HA
|
N:ALA491
|
4.7
|
28.3
|
1.0
|
CG
|
M:TRP198
|
4.7
|
16.9
|
1.0
|
CA
|
N:ALA491
|
4.8
|
23.5
|
1.0
|
N
|
M:ARG197
|
4.8
|
19.2
|
1.0
|
CG
|
M:ARG197
|
4.8
|
26.3
|
1.0
|
C
|
M:VAL196
|
4.8
|
21.3
|
1.0
|
HB2
|
N:ALA491
|
4.9
|
26.0
|
1.0
|
HG2
|
M:ARG197
|
4.9
|
31.6
|
1.0
|
CZ3
|
N:TRP602
|
4.9
|
23.6
|
1.0
|
CG
|
N:ASN492
|
4.9
|
26.7
|
1.0
|
HA
|
N:ASN492
|
4.9
|
22.4
|
1.0
|
HB3
|
M:TRP198
|
5.0
|
23.4
|
1.0
|
HA
|
M:TRP198
|
5.0
|
23.8
|
1.0
|
NH1
|
M:ARG197
|
5.0
|
24.3
|
1.0
|
|
Chlorine binding site 6 out
of 8 in 7z53
Go back to
Chlorine Binding Sites List in 7z53
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl301
b:20.5
occ:1.00
|
H
|
P:VAL493
|
2.4
|
29.8
|
1.0
|
H
|
O:TRP198
|
2.5
|
26.1
|
1.0
|
HH2
|
P:TRP602
|
2.9
|
24.2
|
1.0
|
HB3
|
P:ASN492
|
2.9
|
27.4
|
1.0
|
HA
|
O:ARG197
|
3.0
|
24.9
|
1.0
|
O
|
O:HOH420
|
3.0
|
19.3
|
1.0
|
HB
|
P:VAL493
|
3.1
|
27.4
|
1.0
|
N
|
P:VAL493
|
3.2
|
24.8
|
1.0
|
N
|
O:TRP198
|
3.3
|
21.7
|
1.0
|
H
|
O:LEU199
|
3.3
|
27.5
|
1.0
|
HB2
|
O:TRP198
|
3.4
|
26.0
|
1.0
|
HG12
|
P:VAL493
|
3.4
|
31.1
|
1.0
|
H
|
P:ASN492
|
3.4
|
25.8
|
1.0
|
HZ2
|
P:TRP602
|
3.5
|
25.8
|
1.0
|
HB1
|
P:ALA491
|
3.6
|
28.7
|
1.0
|
HD3
|
O:ARG197
|
3.6
|
27.9
|
1.0
|
CB
|
P:ASN492
|
3.6
|
22.8
|
1.0
|
CH2
|
P:TRP602
|
3.6
|
20.1
|
1.0
|
HB2
|
P:ASN492
|
3.7
|
27.4
|
1.0
|
N
|
P:ASN492
|
3.8
|
21.4
|
1.0
|
CB
|
P:VAL493
|
3.8
|
22.8
|
1.0
|
CA
|
O:ARG197
|
3.8
|
20.7
|
1.0
|
HD22
|
P:LEU596
|
3.8
|
22.9
|
1.0
|
CG1
|
P:VAL493
|
4.0
|
25.9
|
1.0
|
CZ2
|
P:TRP602
|
4.0
|
21.5
|
1.0
|
CA
|
P:ASN492
|
4.0
|
22.4
|
1.0
|
C
|
O:ARG197
|
4.0
|
20.1
|
1.0
|
HG11
|
P:VAL493
|
4.1
|
31.1
|
1.0
|
CA
|
P:VAL493
|
4.1
|
27.5
|
1.0
|
C
|
P:ASN492
|
4.1
|
22.8
|
1.0
|
O
|
O:VAL196
|
4.1
|
25.8
|
1.0
|
HD2
|
O:ARG197
|
4.1
|
27.9
|
1.0
|
N
|
O:LEU199
|
4.1
|
22.9
|
1.0
|
HD21
|
P:LEU596
|
4.1
|
22.9
|
1.0
|
CB
|
O:TRP198
|
4.1
|
21.6
|
1.0
|
HH11
|
O:ARG197
|
4.2
|
22.8
|
1.0
|
CA
|
O:TRP198
|
4.2
|
21.5
|
1.0
|
HD23
|
P:LEU596
|
4.3
|
22.9
|
1.0
|
CD
|
O:ARG197
|
4.3
|
23.2
|
1.0
|
CD2
|
P:LEU596
|
4.3
|
19.1
|
1.0
|
HB3
|
O:ARG197
|
4.3
|
33.9
|
1.0
|
HA
|
P:VAL493
|
4.4
|
33.0
|
1.0
|
O
|
O:LEU199
|
4.5
|
21.4
|
1.0
|
CB
|
P:ALA491
|
4.5
|
23.9
|
1.0
|
C
|
P:ALA491
|
4.5
|
20.4
|
1.0
|
CB
|
O:ARG197
|
4.6
|
28.2
|
1.0
|
C
|
O:TRP198
|
4.6
|
19.0
|
1.0
|
HB3
|
P:ALA491
|
4.8
|
28.7
|
1.0
|
CG
|
O:TRP198
|
4.8
|
21.1
|
1.0
|
CZ3
|
P:TRP602
|
4.8
|
24.9
|
1.0
|
HB2
|
O:LEU199
|
4.8
|
21.8
|
1.0
|
HG13
|
P:VAL493
|
4.9
|
31.1
|
1.0
|
CG
|
P:ASN492
|
4.9
|
24.3
|
1.0
|
N
|
O:ARG197
|
4.9
|
17.7
|
1.0
|
HA
|
P:ALA491
|
4.9
|
23.0
|
1.0
|
HB3
|
O:TRP198
|
4.9
|
26.0
|
1.0
|
NH1
|
O:ARG197
|
4.9
|
18.9
|
1.0
|
C
|
O:VAL196
|
4.9
|
25.2
|
1.0
|
CA
|
P:ALA491
|
4.9
|
19.2
|
1.0
|
CG
|
O:ARG197
|
4.9
|
24.9
|
1.0
|
HA
|
P:ASN492
|
5.0
|
26.9
|
1.0
|
HZ3
|
P:TRP602
|
5.0
|
29.9
|
1.0
|
|
Chlorine binding site 7 out
of 8 in 7z53
Go back to
Chlorine Binding Sites List in 7z53
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl301
b:23.1
occ:1.00
|
H
|
T:VAL493
|
2.5
|
31.7
|
1.0
|
H
|
S:TRP198
|
2.5
|
26.0
|
1.0
|
HH2
|
T:TRP602
|
2.8
|
25.0
|
1.0
|
HB3
|
T:ASN492
|
2.9
|
28.1
|
1.0
|
HA
|
S:ARG197
|
2.9
|
34.2
|
1.0
|
O
|
S:HOH414
|
3.0
|
21.6
|
1.0
|
HB
|
T:VAL493
|
3.1
|
26.0
|
1.0
|
HG12
|
T:VAL493
|
3.2
|
29.2
|
1.0
|
H
|
S:LEU199
|
3.2
|
27.3
|
1.0
|
N
|
S:TRP198
|
3.2
|
21.6
|
1.0
|
N
|
T:VAL493
|
3.3
|
26.4
|
1.0
|
HB2
|
S:TRP198
|
3.4
|
24.7
|
1.0
|
H
|
T:ASN492
|
3.5
|
30.9
|
1.0
|
CH2
|
T:TRP602
|
3.6
|
20.8
|
1.0
|
HB1
|
T:ALA491
|
3.6
|
26.2
|
1.0
|
CB
|
T:ASN492
|
3.6
|
23.4
|
1.0
|
HB2
|
T:ASN492
|
3.7
|
28.1
|
1.0
|
HZ2
|
T:TRP602
|
3.7
|
27.3
|
1.0
|
CA
|
S:ARG197
|
3.7
|
28.5
|
1.0
|
CB
|
T:VAL493
|
3.8
|
21.6
|
1.0
|
N
|
T:ASN492
|
3.8
|
25.7
|
1.0
|
CG1
|
T:VAL493
|
3.8
|
24.3
|
1.0
|
HE
|
S:ARG197
|
3.9
|
41.4
|
1.0
|
C
|
S:ARG197
|
4.0
|
26.1
|
1.0
|
HD22
|
T:LEU596
|
4.0
|
26.9
|
1.0
|
N
|
S:LEU199
|
4.0
|
22.7
|
1.0
|
HB3
|
S:ARG197
|
4.0
|
36.9
|
1.0
|
CZ2
|
T:TRP602
|
4.1
|
22.7
|
1.0
|
HG11
|
T:VAL493
|
4.1
|
29.2
|
1.0
|
CA
|
T:ASN492
|
4.1
|
23.9
|
1.0
|
HG2
|
S:ARG197
|
4.1
|
36.7
|
1.0
|
O
|
S:VAL196
|
4.1
|
18.4
|
1.0
|
CA
|
T:VAL493
|
4.2
|
24.9
|
1.0
|
C
|
T:ASN492
|
4.2
|
21.7
|
1.0
|
CA
|
S:TRP198
|
4.2
|
21.9
|
1.0
|
CB
|
S:TRP198
|
4.2
|
20.6
|
1.0
|
HD21
|
T:LEU596
|
4.2
|
26.9
|
1.0
|
CB
|
S:ARG197
|
4.3
|
30.7
|
1.0
|
HH21
|
S:ARG197
|
4.4
|
35.1
|
1.0
|
CD2
|
T:LEU596
|
4.4
|
22.4
|
1.0
|
O
|
S:LEU199
|
4.4
|
24.9
|
1.0
|
HD23
|
T:LEU596
|
4.5
|
26.9
|
1.0
|
CB
|
T:ALA491
|
4.6
|
21.8
|
1.0
|
HA
|
T:VAL493
|
4.6
|
29.9
|
1.0
|
C
|
S:TRP198
|
4.6
|
22.9
|
1.0
|
NE
|
S:ARG197
|
4.6
|
34.5
|
1.0
|
C
|
T:ALA491
|
4.6
|
22.2
|
1.0
|
HG13
|
T:VAL493
|
4.7
|
29.2
|
1.0
|
CZ3
|
T:TRP602
|
4.7
|
21.9
|
1.0
|
CG
|
S:ARG197
|
4.7
|
30.6
|
1.0
|
HB2
|
S:LEU199
|
4.7
|
19.7
|
1.0
|
HZ3
|
T:TRP602
|
4.8
|
26.3
|
1.0
|
CG
|
S:TRP198
|
4.8
|
18.4
|
1.0
|
N
|
S:ARG197
|
4.8
|
26.0
|
1.0
|
CG
|
T:ASN492
|
4.9
|
29.7
|
1.0
|
C
|
S:VAL196
|
4.9
|
20.7
|
1.0
|
HA
|
T:ALA491
|
4.9
|
23.1
|
1.0
|
HB3
|
T:ALA491
|
4.9
|
26.2
|
1.0
|
HB3
|
S:TRP198
|
5.0
|
24.7
|
1.0
|
CA
|
T:ALA491
|
5.0
|
19.2
|
1.0
|
|
Chlorine binding site 8 out
of 8 in 7z53
Go back to
Chlorine Binding Sites List in 7z53
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl301
b:23.3
occ:1.00
|
H
|
V:VAL493
|
2.6
|
31.5
|
1.0
|
H
|
U:TRP198
|
2.6
|
21.2
|
1.0
|
HB3
|
V:ASN492
|
2.8
|
21.2
|
1.0
|
HA
|
U:ARG197
|
2.9
|
25.5
|
1.0
|
O
|
U:HOH431
|
2.9
|
15.7
|
1.0
|
HH2
|
V:TRP602
|
2.9
|
28.0
|
1.0
|
HB
|
V:VAL493
|
3.1
|
21.1
|
1.0
|
N
|
V:VAL493
|
3.3
|
26.2
|
1.0
|
H
|
V:ASN492
|
3.3
|
25.9
|
1.0
|
N
|
U:TRP198
|
3.3
|
17.6
|
1.0
|
HD3
|
U:ARG197
|
3.4
|
24.8
|
1.0
|
H
|
U:LEU199
|
3.5
|
20.1
|
1.0
|
HB2
|
U:TRP198
|
3.5
|
24.2
|
1.0
|
HG12
|
V:VAL493
|
3.5
|
30.7
|
1.0
|
CB
|
V:ASN492
|
3.6
|
17.6
|
1.0
|
N
|
V:ASN492
|
3.7
|
21.5
|
1.0
|
CH2
|
V:TRP602
|
3.7
|
23.3
|
1.0
|
HB1
|
V:ALA491
|
3.7
|
24.4
|
1.0
|
HZ2
|
V:TRP602
|
3.8
|
28.8
|
1.0
|
CA
|
U:ARG197
|
3.8
|
21.2
|
1.0
|
HB2
|
V:ASN492
|
3.8
|
21.2
|
1.0
|
HD22
|
V:LEU596
|
3.8
|
20.4
|
1.0
|
CB
|
V:VAL493
|
3.8
|
17.5
|
1.0
|
O
|
U:VAL196
|
3.9
|
16.9
|
1.0
|
CA
|
V:ASN492
|
4.0
|
20.7
|
1.0
|
CG1
|
V:VAL493
|
4.0
|
25.5
|
1.0
|
HG11
|
V:VAL493
|
4.0
|
30.7
|
1.0
|
C
|
V:ASN492
|
4.0
|
18.8
|
1.0
|
C
|
U:ARG197
|
4.0
|
20.1
|
1.0
|
CA
|
V:VAL493
|
4.1
|
19.5
|
1.0
|
HH11
|
U:ARG197
|
4.1
|
24.8
|
1.0
|
CZ2
|
V:TRP602
|
4.1
|
23.9
|
1.0
|
HD21
|
V:LEU596
|
4.2
|
20.4
|
1.0
|
HD23
|
V:LEU596
|
4.2
|
20.4
|
1.0
|
N
|
U:LEU199
|
4.2
|
16.8
|
1.0
|
CB
|
U:TRP198
|
4.2
|
20.1
|
1.0
|
CD2
|
V:LEU596
|
4.3
|
17.0
|
1.0
|
CA
|
U:TRP198
|
4.3
|
20.7
|
1.0
|
HB3
|
U:ARG197
|
4.3
|
25.0
|
1.0
|
CD
|
U:ARG197
|
4.3
|
20.6
|
1.0
|
HA
|
V:VAL493
|
4.4
|
23.5
|
1.0
|
HD2
|
U:ARG197
|
4.5
|
24.8
|
1.0
|
C
|
V:ALA491
|
4.5
|
21.8
|
1.0
|
CB
|
U:ARG197
|
4.5
|
20.8
|
1.0
|
O
|
U:LEU199
|
4.5
|
23.2
|
1.0
|
CB
|
V:ALA491
|
4.6
|
20.3
|
1.0
|
HB2
|
U:LEU199
|
4.7
|
27.2
|
1.0
|
C
|
U:TRP198
|
4.7
|
18.2
|
1.0
|
N
|
U:ARG197
|
4.8
|
15.6
|
1.0
|
C
|
U:VAL196
|
4.8
|
20.2
|
1.0
|
HG2
|
U:ARG197
|
4.8
|
26.6
|
1.0
|
NH1
|
U:ARG197
|
4.8
|
20.6
|
1.0
|
CG
|
U:ARG197
|
4.8
|
22.1
|
1.0
|
CG
|
V:ASN492
|
4.8
|
26.7
|
1.0
|
CZ3
|
V:TRP602
|
4.8
|
24.9
|
1.0
|
CG
|
U:TRP198
|
4.9
|
16.9
|
1.0
|
HG13
|
V:VAL493
|
4.9
|
30.7
|
1.0
|
HA
|
V:ASN492
|
4.9
|
24.9
|
1.0
|
HA
|
V:ALA491
|
4.9
|
26.1
|
1.0
|
HZ3
|
V:TRP602
|
4.9
|
29.9
|
1.0
|
HB3
|
V:ALA491
|
5.0
|
24.4
|
1.0
|
CA
|
V:ALA491
|
5.0
|
21.7
|
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: Tue Jul 30 06:07:22 2024
|