Cadmium in PDB 4avv: Structure of Cphpc Bound to Serum Amyloid P Component
Protein crystallography data
The structure of Structure of Cphpc Bound to Serum Amyloid P Component, PDB code: 4avv
was solved by
S.E.Kolstoe,
M.C.Jenvey,
S.P.Wood,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
37.869 /
1.60
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
154.379,
108.579,
120.263,
90.00,
138.53,
90.00
|
R / Rfree (%)
|
15 /
17.5
|
Cadmium Binding Sites:
Cadmium binding site 1 out
of 35 in 4avv
Go back to
Cadmium Binding Sites List in 4avv
Cadmium binding site 1 out
of 35 in the Structure of Cphpc Bound to Serum Amyloid P Component
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 1 of Structure of Cphpc Bound to Serum Amyloid P Component within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1209
b:12.7
occ:1.00
|
OE1
|
A:GLU136
|
2.3
|
13.0
|
1.0
|
O1
|
A:GHE1207
|
2.3
|
11.4
|
0.5
|
O
|
A:HOH7240
|
2.3
|
11.4
|
1.0
|
O
|
A:HOH7242
|
2.3
|
15.6
|
1.0
|
OE1
|
A:GLN148
|
2.4
|
10.4
|
1.0
|
OD1
|
A:ASP138
|
2.4
|
12.6
|
1.0
|
OD2
|
A:ASP138
|
2.9
|
16.3
|
1.0
|
CG
|
A:ASP138
|
3.0
|
16.5
|
1.0
|
C1
|
A:GHE1207
|
3.3
|
13.3
|
0.5
|
CD
|
A:GLN148
|
3.3
|
12.9
|
1.0
|
CD
|
A:GLU136
|
3.4
|
10.6
|
1.0
|
O2
|
A:GHE1207
|
3.5
|
11.2
|
0.5
|
NE2
|
A:GLN148
|
3.6
|
15.0
|
1.0
|
CD
|
A:CD1210
|
3.7
|
12.2
|
1.0
|
CG
|
A:GLU136
|
4.2
|
10.0
|
1.0
|
CB
|
A:ASP145
|
4.3
|
13.3
|
1.0
|
CB
|
A:GLU136
|
4.3
|
13.1
|
1.0
|
OE2
|
A:GLU136
|
4.3
|
13.6
|
1.0
|
O
|
A:GLU136
|
4.3
|
11.8
|
1.0
|
CB
|
A:ASP138
|
4.4
|
14.1
|
1.0
|
OD2
|
A:ASP145
|
4.5
|
15.7
|
1.0
|
C2
|
A:GHE1207
|
4.6
|
12.8
|
0.5
|
O11
|
A:GHE1207
|
4.6
|
17.9
|
0.5
|
O
|
A:GLN137
|
4.7
|
11.8
|
1.0
|
CG
|
A:GLN148
|
4.7
|
13.0
|
1.0
|
N
|
A:ASP138
|
4.8
|
13.0
|
1.0
|
C
|
A:GLU136
|
4.8
|
10.9
|
1.0
|
C
|
A:GLN137
|
4.8
|
11.4
|
1.0
|
O
|
A:LYS143
|
4.9
|
13.4
|
1.0
|
CA
|
A:ASP138
|
4.9
|
12.3
|
1.0
|
CG
|
A:ASP145
|
4.9
|
15.8
|
1.0
|
|
Cadmium binding site 2 out
of 35 in 4avv
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Cadmium Binding Sites List in 4avv
Cadmium binding site 2 out
of 35 in the Structure of Cphpc Bound to Serum Amyloid P Component
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 2 of Structure of Cphpc Bound to Serum Amyloid P Component within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1210
b:12.2
occ:1.00
|
OD1
|
A:ASP58
|
2.2
|
11.7
|
1.0
|
O2
|
A:GHE1207
|
2.3
|
11.2
|
0.5
|
O
|
A:GLN137
|
2.4
|
11.8
|
1.0
|
OE2
|
A:GLU136
|
2.4
|
13.6
|
1.0
|
OD1
|
A:ASN59
|
2.4
|
12.5
|
1.0
|
OD1
|
A:ASP138
|
2.5
|
12.6
|
1.0
|
OE1
|
A:GLU136
|
2.6
|
13.0
|
1.0
|
CD
|
A:GLU136
|
2.8
|
10.6
|
1.0
|
CG
|
A:ASP58
|
3.0
|
14.7
|
1.0
|
OD2
|
A:ASP58
|
3.1
|
14.5
|
1.0
|
C1
|
A:GHE1207
|
3.3
|
13.3
|
0.5
|
CG
|
A:ASN59
|
3.3
|
12.7
|
1.0
|
C
|
A:GLN137
|
3.3
|
11.4
|
1.0
|
CA
|
A:ASP138
|
3.6
|
12.3
|
1.0
|
ND2
|
A:ASN59
|
3.6
|
13.1
|
1.0
|
CG
|
A:ASP138
|
3.7
|
16.5
|
1.0
|
O1
|
A:GHE1207
|
3.7
|
11.4
|
0.5
|
CD
|
A:CD1209
|
3.7
|
12.7
|
1.0
|
N
|
A:ASP138
|
3.8
|
13.0
|
1.0
|
O
|
A:HOH7124
|
4.1
|
12.3
|
1.0
|
CB
|
A:ASP138
|
4.2
|
14.1
|
1.0
|
CG
|
A:GLU136
|
4.3
|
10.0
|
1.0
|
N
|
A:ASN59
|
4.3
|
11.1
|
1.0
|
C2
|
A:GHE1207
|
4.4
|
12.8
|
0.5
|
CB
|
A:ASP58
|
4.4
|
13.3
|
1.0
|
C3
|
A:GHE1207
|
4.5
|
12.7
|
0.5
|
CA
|
A:GLN137
|
4.6
|
11.8
|
1.0
|
ND2
|
A:ASN53
|
4.6
|
12.6
|
1.0
|
N
|
A:GLN137
|
4.6
|
10.0
|
1.0
|
CB
|
A:ASN59
|
4.6
|
11.7
|
1.0
|
OD2
|
A:ASP138
|
4.7
|
16.3
|
1.0
|
C
|
A:ASP138
|
4.8
|
15.9
|
1.0
|
CA
|
A:ASN59
|
4.8
|
11.1
|
1.0
|
O
|
A:HOH7240
|
4.9
|
11.4
|
1.0
|
OD1
|
A:ASN53
|
4.9
|
13.7
|
1.0
|
C
|
A:GLU136
|
4.9
|
10.9
|
1.0
|
C
|
A:ASP58
|
5.0
|
14.2
|
1.0
|
CA
|
A:ASP58
|
5.0
|
11.8
|
1.0
|
O
|
A:HOH7149
|
5.0
|
25.4
|
1.0
|
|
Cadmium binding site 3 out
of 35 in 4avv
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Cadmium Binding Sites List in 4avv
Cadmium binding site 3 out
of 35 in the Structure of Cphpc Bound to Serum Amyloid P Component
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 3 of Structure of Cphpc Bound to Serum Amyloid P Component within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1211
b:15.3
occ:0.64
|
O
|
A:HOH7038
|
2.3
|
24.7
|
1.0
|
OE2
|
A:GLU14
|
2.3
|
19.1
|
1.0
|
O
|
A:HOH7317
|
2.4
|
13.3
|
1.0
|
O
|
A:HOH7316
|
2.6
|
44.9
|
1.0
|
O
|
A:HOH7315
|
2.7
|
38.0
|
1.0
|
OE1
|
A:GLU14
|
2.8
|
15.9
|
1.0
|
CD
|
A:GLU14
|
2.9
|
15.5
|
1.0
|
O
|
A:HOH7036
|
2.9
|
21.8
|
1.0
|
CD
|
A:CD1218
|
3.8
|
16.5
|
0.5
|
O
|
A:HOH7037
|
4.3
|
23.1
|
1.0
|
O
|
A:HOH7039
|
4.3
|
36.6
|
1.0
|
O
|
A:HOH7322
|
4.3
|
37.7
|
1.0
|
CG
|
A:GLU14
|
4.4
|
14.0
|
1.0
|
NE
|
A:ARG45
|
4.4
|
12.9
|
1.0
|
NE
|
A:ARG146
|
4.6
|
22.4
|
1.0
|
|
Cadmium binding site 4 out
of 35 in 4avv
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Cadmium Binding Sites List in 4avv
Cadmium binding site 4 out
of 35 in the Structure of Cphpc Bound to Serum Amyloid P Component
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 4 of Structure of Cphpc Bound to Serum Amyloid P Component within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1212
b:11.2
occ:0.60
|
O
|
A:ACT1206
|
2.3
|
20.0
|
0.8
|
O
|
A:ACT1205
|
2.3
|
19.5
|
0.7
|
OXT
|
A:ACT1208
|
2.4
|
29.2
|
0.7
|
O
|
A:ACT1215
|
2.4
|
14.5
|
0.7
|
O
|
A:ACT1208
|
2.7
|
19.1
|
0.7
|
OXT
|
A:ACT1215
|
2.9
|
31.4
|
0.7
|
C
|
A:ACT1208
|
2.9
|
15.2
|
0.7
|
OXT
|
A:ACT1205
|
3.0
|
26.1
|
0.7
|
C
|
A:ACT1215
|
3.0
|
16.4
|
0.7
|
C
|
A:ACT1206
|
3.0
|
24.0
|
0.8
|
C
|
A:ACT1205
|
3.0
|
16.3
|
0.7
|
OXT
|
A:ACT1206
|
3.1
|
25.8
|
0.8
|
NH2
|
A:ARG120
|
4.2
|
16.7
|
1.0
|
CH3
|
A:ACT1208
|
4.3
|
21.6
|
0.7
|
NH2
|
A:ARG77
|
4.3
|
25.6
|
0.9
|
NH2
|
A:ARG77
|
4.3
|
25.2
|
0.1
|
CH3
|
A:ACT1215
|
4.4
|
12.5
|
0.7
|
CH3
|
A:ACT1206
|
4.4
|
10.9
|
0.8
|
CH3
|
A:ACT1205
|
4.5
|
17.9
|
0.7
|
NH2
|
A:ARG57
|
4.6
|
19.5
|
1.0
|
NE2
|
A:HIS78
|
4.9
|
22.1
|
1.0
|
NH1
|
A:ARG57
|
4.9
|
20.4
|
1.0
|
|
Cadmium binding site 5 out
of 35 in 4avv
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Cadmium Binding Sites List in 4avv
Cadmium binding site 5 out
of 35 in the Structure of Cphpc Bound to Serum Amyloid P Component
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 5 of Structure of Cphpc Bound to Serum Amyloid P Component within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1213
b:11.5
occ:0.56
|
OD1
|
A:ASP145
|
2.3
|
17.0
|
1.0
|
O
|
A:HOH7255
|
2.3
|
28.0
|
1.0
|
O
|
A:HOH7258
|
2.4
|
18.1
|
1.0
|
O
|
A:HOH7262
|
2.5
|
21.1
|
1.0
|
OG
|
A:SER147
|
2.5
|
14.3
|
1.0
|
O
|
A:HOH7257
|
2.5
|
14.6
|
1.0
|
CG
|
A:ASP145
|
3.2
|
15.8
|
1.0
|
O
|
A:HOH7263
|
3.3
|
23.9
|
1.0
|
OD2
|
A:ASP145
|
3.4
|
15.7
|
1.0
|
CB
|
A:SER147
|
3.4
|
15.1
|
1.0
|
N
|
A:SER147
|
4.0
|
10.1
|
1.0
|
O
|
A:HOH7259
|
4.1
|
22.9
|
1.0
|
O
|
A:HOH7122
|
4.3
|
28.0
|
1.0
|
CA
|
A:SER147
|
4.3
|
12.2
|
1.0
|
O
|
A:HOH7256
|
4.4
|
17.0
|
1.0
|
O
|
A:HOH7325
|
4.5
|
34.8
|
1.0
|
CB
|
A:ASP145
|
4.6
|
13.3
|
1.0
|
N
|
A:ARG146
|
4.8
|
13.3
|
1.0
|
|
Cadmium binding site 6 out
of 35 in 4avv
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Cadmium Binding Sites List in 4avv
Cadmium binding site 6 out
of 35 in the Structure of Cphpc Bound to Serum Amyloid P Component
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 6 of Structure of Cphpc Bound to Serum Amyloid P Component within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1216
b:23.7
occ:0.46
|
O
|
A:HOH7320
|
2.4
|
8.9
|
1.0
|
O
|
A:HOH7319
|
2.5
|
36.7
|
1.0
|
O
|
A:HOH7250
|
2.5
|
21.0
|
1.0
|
O
|
A:HOH7253
|
2.5
|
27.9
|
1.0
|
O
|
A:HOH7321
|
2.6
|
35.6
|
1.0
|
O
|
A:HOH7251
|
2.7
|
35.6
|
1.0
|
O
|
A:HOH7318
|
3.3
|
26.3
|
1.0
|
NZ
|
A:LYS143
|
4.0
|
23.5
|
1.0
|
|
Cadmium binding site 7 out
of 35 in 4avv
Go back to
Cadmium Binding Sites List in 4avv
Cadmium binding site 7 out
of 35 in the Structure of Cphpc Bound to Serum Amyloid P Component
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 7 of Structure of Cphpc Bound to Serum Amyloid P Component within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1218
b:16.5
occ:0.45
|
O
|
A:HOH7263
|
2.4
|
23.9
|
1.0
|
O
|
A:HOH7323
|
2.4
|
35.9
|
1.0
|
O
|
A:HOH7322
|
2.5
|
37.7
|
1.0
|
O
|
A:HOH7317
|
2.5
|
13.3
|
1.0
|
O
|
A:HOH7325
|
2.6
|
34.8
|
1.0
|
O
|
A:HOH7316
|
2.6
|
44.9
|
1.0
|
O
|
A:HOH7324
|
2.7
|
42.5
|
1.0
|
O
|
A:HOH7326
|
3.4
|
42.6
|
1.0
|
CD
|
A:CD1211
|
3.8
|
15.3
|
0.6
|
O
|
A:HOH7315
|
4.0
|
38.0
|
1.0
|
O
|
A:HOH7262
|
4.2
|
21.1
|
1.0
|
O
|
A:HOH7258
|
4.4
|
18.1
|
1.0
|
CB
|
A:SER147
|
4.4
|
15.1
|
1.0
|
O
|
A:HOH7123
|
4.5
|
31.9
|
1.0
|
|
Cadmium binding site 8 out
of 35 in 4avv
Go back to
Cadmium Binding Sites List in 4avv
Cadmium binding site 8 out
of 35 in the Structure of Cphpc Bound to Serum Amyloid P Component
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 8 of Structure of Cphpc Bound to Serum Amyloid P Component within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd1219
b:21.1
occ:0.58
|
O
|
A:HOH7133
|
2.3
|
18.6
|
1.0
|
O
|
A:HOH7327
|
2.3
|
37.0
|
1.0
|
O
|
A:HOH7244
|
2.7
|
13.6
|
1.0
|
OE1
|
A:GLN55
|
3.3
|
32.5
|
1.0
|
O
|
A:HOH7314
|
4.3
|
43.0
|
1.0
|
N
|
A:GLY56
|
4.4
|
17.9
|
1.0
|
N
|
A:TYR140
|
4.5
|
14.3
|
1.0
|
CD
|
A:GLN55
|
4.5
|
29.2
|
1.0
|
CB
|
A:TYR140
|
4.6
|
15.8
|
1.0
|
CA
|
A:GLY56
|
4.7
|
19.1
|
1.0
|
NE2
|
A:GLN55
|
4.9
|
42.1
|
1.0
|
CB
|
A:SER139
|
4.9
|
14.4
|
1.0
|
|
Cadmium binding site 9 out
of 35 in 4avv
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Cadmium Binding Sites List in 4avv
Cadmium binding site 9 out
of 35 in the Structure of Cphpc Bound to Serum Amyloid P Component
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 9 of Structure of Cphpc Bound to Serum Amyloid P Component within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cd1209
b:12.8
occ:1.00
|
OD1
|
B:ASP58
|
2.3
|
15.6
|
1.0
|
O2
|
B:GHE1207
|
2.3
|
13.9
|
0.5
|
OE2
|
B:GLU136
|
2.3
|
12.8
|
1.0
|
OD1
|
B:ASN59
|
2.4
|
13.4
|
1.0
|
O
|
B:GLN137
|
2.4
|
11.0
|
1.0
|
OD1
|
B:ASP138
|
2.5
|
15.5
|
1.0
|
OE1
|
B:GLU136
|
2.5
|
14.5
|
1.0
|
CD
|
B:GLU136
|
2.7
|
12.2
|
1.0
|
CG
|
B:ASP58
|
3.0
|
14.7
|
1.0
|
OD2
|
B:ASP58
|
3.0
|
14.7
|
1.0
|
C1
|
B:GHE1207
|
3.3
|
14.6
|
0.5
|
CG
|
B:ASN59
|
3.3
|
12.1
|
1.0
|
C
|
B:GLN137
|
3.4
|
11.4
|
1.0
|
CG
|
B:ASP138
|
3.6
|
16.9
|
1.0
|
CA
|
B:ASP138
|
3.6
|
13.5
|
1.0
|
ND2
|
B:ASN59
|
3.6
|
15.1
|
1.0
|
O1
|
B:GHE1207
|
3.7
|
13.9
|
0.5
|
CD
|
B:CD1210
|
3.7
|
13.1
|
1.0
|
O
|
B:HOH7127
|
3.8
|
26.0
|
1.0
|
N
|
B:ASP138
|
3.8
|
13.6
|
1.0
|
O
|
B:HOH7113
|
4.1
|
13.0
|
1.0
|
CB
|
B:ASP138
|
4.2
|
14.6
|
1.0
|
CG
|
B:GLU136
|
4.2
|
10.2
|
1.0
|
N
|
B:ASN59
|
4.4
|
12.2
|
1.0
|
C2
|
B:GHE1207
|
4.4
|
13.7
|
0.5
|
C3
|
B:GHE1207
|
4.4
|
12.5
|
0.5
|
CB
|
B:ASP58
|
4.4
|
13.8
|
1.0
|
CA
|
B:GLN137
|
4.6
|
12.2
|
1.0
|
ND2
|
B:ASN53
|
4.6
|
12.8
|
1.0
|
N
|
B:GLN137
|
4.6
|
11.9
|
1.0
|
CB
|
B:ASN59
|
4.7
|
12.1
|
1.0
|
OD2
|
B:ASP138
|
4.7
|
17.3
|
1.0
|
C
|
B:ASP138
|
4.8
|
16.8
|
1.0
|
OD1
|
B:ASN53
|
4.8
|
13.4
|
1.0
|
O
|
B:HOH7208
|
4.9
|
13.3
|
1.0
|
CA
|
B:ASN59
|
4.9
|
12.4
|
1.0
|
C
|
B:GLU136
|
4.9
|
11.5
|
1.0
|
O
|
B:HOH7126
|
5.0
|
9.8
|
1.0
|
CA
|
B:ASP58
|
5.0
|
12.7
|
1.0
|
C
|
B:ASP58
|
5.0
|
13.9
|
1.0
|
|
Cadmium binding site 10 out
of 35 in 4avv
Go back to
Cadmium Binding Sites List in 4avv
Cadmium binding site 10 out
of 35 in the Structure of Cphpc Bound to Serum Amyloid P Component
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 10 of Structure of Cphpc Bound to Serum Amyloid P Component within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cd1210
b:13.1
occ:1.00
|
OE1
|
B:GLU136
|
2.3
|
14.5
|
1.0
|
O1
|
B:GHE1207
|
2.3
|
13.9
|
0.5
|
O
|
B:HOH7208
|
2.3
|
13.3
|
1.0
|
OE1
|
B:GLN148
|
2.3
|
11.6
|
1.0
|
OD1
|
B:ASP138
|
2.4
|
15.5
|
1.0
|
O
|
B:HOH7209
|
2.4
|
16.0
|
1.0
|
OD2
|
B:ASP138
|
2.9
|
17.3
|
1.0
|
CG
|
B:ASP138
|
2.9
|
16.9
|
1.0
|
CD
|
B:GLN148
|
3.3
|
13.4
|
1.0
|
C1
|
B:GHE1207
|
3.3
|
14.6
|
0.5
|
CD
|
B:GLU136
|
3.4
|
12.2
|
1.0
|
O2
|
B:GHE1207
|
3.5
|
13.9
|
0.5
|
NE2
|
B:GLN148
|
3.6
|
17.3
|
1.0
|
CD
|
B:CD1209
|
3.7
|
12.8
|
1.0
|
CG
|
B:GLU136
|
4.2
|
10.2
|
1.0
|
O
|
B:HOH7127
|
4.2
|
26.0
|
1.0
|
CB
|
B:ASP145
|
4.2
|
14.1
|
1.0
|
CB
|
B:GLU136
|
4.3
|
10.4
|
1.0
|
C9
|
B:GHE1207
|
4.3
|
22.9
|
0.5
|
O
|
B:GLU136
|
4.3
|
13.2
|
1.0
|
OE2
|
B:GLU136
|
4.3
|
12.8
|
1.0
|
CB
|
B:ASP138
|
4.4
|
14.6
|
1.0
|
OD2
|
B:ASP145
|
4.4
|
16.7
|
1.0
|
C2
|
B:GHE1207
|
4.7
|
13.7
|
0.5
|
CG
|
B:GLN148
|
4.7
|
12.1
|
1.0
|
C
|
B:GLU136
|
4.7
|
11.5
|
1.0
|
N
|
B:ASP138
|
4.8
|
13.6
|
1.0
|
O
|
B:GLN137
|
4.8
|
11.0
|
1.0
|
C
|
B:GLN137
|
4.8
|
11.4
|
1.0
|
C10
|
B:GHE1207
|
4.8
|
15.1
|
0.5
|
CG
|
B:ASP145
|
4.9
|
14.3
|
1.0
|
O
|
B:LYS143
|
4.9
|
14.2
|
1.0
|
CA
|
B:ASP138
|
4.9
|
13.5
|
1.0
|
|
Reference:
S.E.Kolstoe,
M.C.Jenvey,
A.Purvis,
M.E.Light,
D.Thompson,
P.Hughes,
M.B.Pepys,
S.P.Wood.
Interaction of Serum Amyloid P Component with Hexanoyl Bis(D-Proline) (Cphpc) Acta Crystallogr.,Sect.D V. 70 2232 2014.
ISSN: ISSN 0907-4449
PubMed: 25084341
DOI: 10.1107/S1399004714013455
Page generated: Fri Jul 19 16:55:48 2024
|