Chlorine in PDB 8bzl: Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42
Enzymatic activity of Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42
All present enzymatic activity of Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42:
3.4.25.1;
Protein crystallography data
The structure of Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42, PDB code: 8bzl
was solved by
F.Henneberg,
A.Chari,
E.Jankowska,
J.Witkowska,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
107.12 /
2.14
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
113.915,
203.262,
316.421,
90,
90,
90
|
R / Rfree (%)
|
19.6 /
22.6
|
Other elements in 8bzl:
The structure of Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42 also contains other interesting chemical elements:
Chlorine Binding Sites:
Chlorine binding site 1 out
of 54 in 8bzl
Go back to
Chlorine Binding Sites List in 8bzl
Chlorine binding site 1 out
of 54 in the Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
3:Cl301
b:67.0
occ:1.00
|
NH1
|
3:ARG69
|
3.0
|
44.2
|
1.0
|
O
|
3:HOH467
|
3.2
|
43.6
|
1.0
|
NH1
|
3:ARG65
|
3.4
|
39.1
|
1.0
|
O
|
3:HOH491
|
3.5
|
69.1
|
1.0
|
CD
|
3:ARG65
|
3.7
|
38.1
|
1.0
|
CB
|
3:ARG65
|
3.8
|
38.1
|
1.0
|
CG
|
3:ARG65
|
3.9
|
38.3
|
1.0
|
CZ
|
3:ARG69
|
4.2
|
44.4
|
1.0
|
CD
|
3:ARG69
|
4.2
|
44.3
|
1.0
|
CZ
|
3:ARG65
|
4.3
|
38.8
|
1.0
|
NE
|
3:ARG65
|
4.4
|
38.4
|
1.0
|
C15
|
3:1PE303
|
4.5
|
72.1
|
1.0
|
O
|
3:ARG65
|
4.5
|
40.2
|
1.0
|
OH5
|
3:1PE303
|
4.5
|
74.7
|
1.0
|
C25
|
3:1PE303
|
4.5
|
74.4
|
1.0
|
CA
|
3:ARG65
|
4.6
|
38.7
|
1.0
|
NE
|
3:ARG69
|
4.6
|
45.1
|
1.0
|
CG
|
3:ARG69
|
4.8
|
44.4
|
1.0
|
C
|
3:ARG65
|
4.9
|
39.6
|
1.0
|
|
Chlorine binding site 2 out
of 54 in 8bzl
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Chlorine Binding Sites List in 8bzl
Chlorine binding site 2 out
of 54 in the Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl301
b:56.8
occ:1.00
|
N
|
A:SER6
|
3.2
|
40.6
|
1.0
|
O
|
C:HOH432
|
3.3
|
48.8
|
1.0
|
CD2
|
A:PHE7
|
3.7
|
38.4
|
1.0
|
CE2
|
A:PHE7
|
3.8
|
38.5
|
1.0
|
CB
|
A:SER6
|
3.8
|
41.2
|
1.0
|
CA
|
A:TYR5
|
3.9
|
42.8
|
1.0
|
C
|
A:TYR5
|
4.0
|
40.7
|
1.0
|
CA
|
A:SER6
|
4.0
|
39.8
|
1.0
|
OG
|
A:SER6
|
4.2
|
41.6
|
1.0
|
O
|
A:GLY4
|
4.3
|
51.7
|
1.0
|
N
|
A:PHE7
|
4.5
|
38.1
|
1.0
|
N
|
B:SER2
|
4.5
|
50.6
|
1.0
|
CD1
|
C:TYR3
|
4.5
|
55.8
|
1.0
|
CB
|
A:TYR5
|
4.6
|
41.1
|
1.0
|
C
|
A:SER6
|
4.7
|
38.7
|
1.0
|
CD1
|
A:TYR5
|
4.7
|
42.2
|
1.0
|
CE1
|
C:TYR3
|
4.8
|
56.1
|
1.0
|
CG
|
A:PHE7
|
4.9
|
37.9
|
1.0
|
N
|
A:TYR5
|
4.9
|
45.5
|
1.0
|
|
Chlorine binding site 3 out
of 54 in 8bzl
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Chlorine Binding Sites List in 8bzl
Chlorine binding site 3 out
of 54 in the Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl302
b:70.8
occ:1.00
|
N
|
A:ARG219
|
3.6
|
42.6
|
1.0
|
CA
|
A:ARG218
|
4.0
|
42.8
|
1.0
|
C
|
A:ARG218
|
4.3
|
42.9
|
1.0
|
CB
|
A:ARG219
|
4.3
|
42.7
|
1.0
|
CG
|
A:PRO66
|
4.3
|
35.5
|
1.0
|
NH2
|
A:ARG219
|
4.4
|
38.8
|
1.0
|
CZ
|
A:ARG219
|
4.4
|
38.7
|
1.0
|
CB
|
A:ARG218
|
4.4
|
44.2
|
1.0
|
CA
|
A:ARG219
|
4.6
|
43.6
|
1.0
|
CG
|
A:ARG219
|
4.6
|
41.1
|
1.0
|
NH1
|
A:ARG219
|
4.6
|
37.1
|
1.0
|
CD
|
A:PRO66
|
4.7
|
35.3
|
1.0
|
O
|
H:HOH556
|
4.7
|
64.0
|
1.0
|
NE
|
A:ARG219
|
4.7
|
40.4
|
1.0
|
CB
|
A:PRO66
|
4.8
|
35.6
|
1.0
|
O
|
A:PHE217
|
4.9
|
41.2
|
1.0
|
|
Chlorine binding site 4 out
of 54 in 8bzl
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Chlorine Binding Sites List in 8bzl
Chlorine binding site 4 out
of 54 in the Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl303
b:63.4
occ:1.00
|
O
|
H:HOH489
|
3.1
|
40.5
|
1.0
|
NH1
|
A:ARG90
|
3.1
|
28.2
|
1.0
|
O
|
A:HOH451
|
3.3
|
37.6
|
1.0
|
ND1
|
A:HIS87
|
3.7
|
36.4
|
1.0
|
CD
|
A:ARG90
|
3.7
|
27.8
|
1.0
|
CA
|
A:HIS87
|
3.8
|
30.6
|
1.0
|
CB
|
A:HIS87
|
3.8
|
31.7
|
1.0
|
NZ
|
G:LYS116
|
3.9
|
42.0
|
1.0
|
O
|
A:HOH463
|
4.0
|
51.1
|
1.0
|
OG
|
H:SER69
|
4.1
|
34.8
|
1.0
|
CG
|
A:HIS87
|
4.1
|
34.0
|
1.0
|
CZ
|
A:ARG90
|
4.1
|
28.6
|
1.0
|
CB
|
H:SER69
|
4.2
|
33.1
|
1.0
|
N
|
A:HIS87
|
4.3
|
29.5
|
1.0
|
O
|
G:HOH536
|
4.3
|
58.1
|
1.0
|
NE
|
A:ARG90
|
4.4
|
28.2
|
1.0
|
CG1
|
A:VAL86
|
4.6
|
30.0
|
1.0
|
CA
|
H:SER69
|
4.6
|
33.3
|
1.0
|
O
|
A:HOH428
|
4.6
|
40.6
|
1.0
|
C
|
A:VAL86
|
4.7
|
29.4
|
1.0
|
CE1
|
A:HIS87
|
4.8
|
36.7
|
1.0
|
O
|
A:VAL86
|
4.8
|
29.1
|
1.0
|
CE
|
G:LYS116
|
4.8
|
39.4
|
1.0
|
CG
|
A:ARG90
|
4.9
|
28.0
|
1.0
|
|
Chlorine binding site 5 out
of 54 in 8bzl
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Chlorine Binding Sites List in 8bzl
Chlorine binding site 5 out
of 54 in the Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl304
b:76.4
occ:1.00
|
O
|
A:HOH416
|
2.8
|
24.8
|
1.0
|
O
|
H:HOH465
|
2.9
|
41.3
|
1.0
|
O
|
A:HOH453
|
3.1
|
53.3
|
1.0
|
CG2
|
A:THR68
|
3.7
|
35.4
|
1.0
|
CB
|
A:THR68
|
3.9
|
36.6
|
1.0
|
CA
|
A:PRO103
|
4.0
|
35.2
|
1.0
|
NE2
|
A:GLN94
|
4.0
|
33.6
|
1.0
|
CD1
|
A:TYR97
|
4.0
|
32.2
|
1.0
|
NZ
|
A:LYS69
|
4.2
|
46.7
|
1.0
|
CB
|
A:PRO103
|
4.2
|
36.1
|
1.0
|
CG
|
A:TYR97
|
4.3
|
31.5
|
1.0
|
CB
|
A:TYR97
|
4.4
|
30.2
|
1.0
|
O
|
A:HOH489
|
4.6
|
63.7
|
1.0
|
O
|
A:ALA93
|
4.7
|
29.9
|
1.0
|
CE1
|
A:TYR97
|
4.7
|
33.5
|
1.0
|
CG
|
A:PRO103
|
4.7
|
37.4
|
1.0
|
OG1
|
A:THR68
|
4.7
|
37.3
|
1.0
|
N
|
A:ILE104
|
4.8
|
32.6
|
1.0
|
OE2
|
H:GLU64
|
4.8
|
41.1
|
1.0
|
OE1
|
H:GLU64
|
4.8
|
39.0
|
1.0
|
N
|
A:PRO103
|
4.9
|
36.7
|
1.0
|
C
|
A:PRO103
|
5.0
|
34.3
|
1.0
|
|
Chlorine binding site 6 out
of 54 in 8bzl
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Chlorine Binding Sites List in 8bzl
Chlorine binding site 6 out
of 54 in the Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl301
b:42.6
occ:1.00
|
CL
|
B:CL302
|
3.0
|
63.0
|
1.0
|
O
|
B:HOH474
|
3.1
|
45.3
|
1.0
|
NE2
|
B:GLN95
|
3.2
|
33.3
|
1.0
|
N
|
B:GLU70
|
3.4
|
43.7
|
1.0
|
CB
|
B:ASN69
|
3.6
|
39.3
|
1.0
|
CG
|
B:GLU70
|
3.6
|
51.9
|
1.0
|
ND2
|
I:ASN71
|
3.9
|
30.9
|
1.0
|
CA
|
B:ASN69
|
3.9
|
40.5
|
1.0
|
CB
|
B:GLU70
|
4.0
|
48.2
|
1.0
|
O
|
B:HOH475
|
4.1
|
59.5
|
1.0
|
C
|
B:ASN69
|
4.1
|
42.3
|
1.0
|
CA
|
B:GLU70
|
4.3
|
45.9
|
1.0
|
CD
|
B:GLN95
|
4.4
|
33.4
|
1.0
|
CG
|
I:ASN71
|
4.4
|
31.3
|
1.0
|
CD2
|
B:LEU98
|
4.4
|
32.3
|
1.0
|
OE1
|
B:GLN95
|
4.7
|
34.3
|
1.0
|
CG
|
B:ASN69
|
4.7
|
39.7
|
1.0
|
O
|
I:HOH483
|
4.7
|
35.2
|
1.0
|
CD
|
B:GLU70
|
4.8
|
55.4
|
1.0
|
OE1
|
B:GLU70
|
4.8
|
55.5
|
1.0
|
CB
|
I:ASN71
|
4.8
|
31.2
|
1.0
|
O
|
B:HOH431
|
4.9
|
25.2
|
1.0
|
O
|
B:HOH458
|
5.0
|
24.3
|
1.0
|
OD1
|
I:ASN71
|
5.0
|
31.5
|
1.0
|
O
|
I:HOH494
|
5.0
|
41.2
|
1.0
|
|
Chlorine binding site 7 out
of 54 in 8bzl
Go back to
Chlorine Binding Sites List in 8bzl
Chlorine binding site 7 out
of 54 in the Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl302
b:63.0
occ:1.00
|
O
|
B:HOH458
|
2.8
|
24.3
|
1.0
|
O
|
B:HOH475
|
2.9
|
59.5
|
1.0
|
CL
|
B:CL301
|
3.0
|
42.6
|
1.0
|
CB
|
B:PRO104
|
3.7
|
36.7
|
1.0
|
CA
|
B:PRO104
|
3.7
|
36.0
|
1.0
|
CD2
|
B:LEU98
|
3.8
|
32.3
|
1.0
|
ND2
|
B:ASN69
|
4.0
|
38.9
|
1.0
|
CB
|
B:ASN69
|
4.1
|
39.3
|
1.0
|
CB
|
B:LEU98
|
4.2
|
31.1
|
1.0
|
CD1
|
B:LEU98
|
4.3
|
32.4
|
1.0
|
CG
|
B:LEU98
|
4.3
|
32.0
|
1.0
|
CG
|
B:ASN69
|
4.4
|
39.7
|
1.0
|
N
|
B:PRO104
|
4.5
|
36.8
|
1.0
|
NE2
|
B:GLN95
|
4.5
|
33.3
|
1.0
|
N
|
B:GLU70
|
4.7
|
43.7
|
1.0
|
N
|
B:ILE105
|
4.7
|
34.2
|
1.0
|
C
|
B:PRO104
|
4.8
|
35.3
|
1.0
|
CG
|
B:PRO104
|
4.8
|
37.6
|
1.0
|
O
|
B:ALA94
|
4.9
|
31.9
|
1.0
|
CB
|
B:GLU70
|
4.9
|
48.2
|
1.0
|
CD
|
B:PRO104
|
5.0
|
37.5
|
1.0
|
|
Chlorine binding site 8 out
of 54 in 8bzl
Go back to
Chlorine Binding Sites List in 8bzl
Chlorine binding site 8 out
of 54 in the Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl301
b:73.3
occ:1.00
|
N
|
C:GLY162
|
3.1
|
53.4
|
1.0
|
CG1
|
C:VAL26
|
3.5
|
51.5
|
1.0
|
O
|
C:HOH409
|
3.6
|
45.3
|
1.0
|
CA
|
C:ILE161
|
3.7
|
52.3
|
1.0
|
O
|
C:HOH424
|
3.8
|
55.4
|
1.0
|
O
|
C:GLY162
|
3.9
|
57.7
|
1.0
|
C
|
C:ILE161
|
3.9
|
53.3
|
1.0
|
CA
|
C:GLY162
|
4.0
|
54.6
|
1.0
|
CB
|
C:ALA165
|
4.0
|
64.8
|
1.0
|
CB
|
C:ILE161
|
4.1
|
50.0
|
1.0
|
C
|
C:GLY162
|
4.4
|
57.0
|
1.0
|
CG2
|
C:ILE161
|
4.4
|
49.3
|
1.0
|
CB
|
C:VAL26
|
4.6
|
51.6
|
1.0
|
CG
|
C:LYS27
|
4.6
|
61.9
|
1.0
|
O
|
C:VAL26
|
4.9
|
55.8
|
1.0
|
C
|
C:VAL26
|
4.9
|
55.2
|
1.0
|
O
|
C:ALA160
|
5.0
|
54.1
|
1.0
|
N
|
C:LYS27
|
5.0
|
57.1
|
1.0
|
|
Chlorine binding site 9 out
of 54 in 8bzl
Go back to
Chlorine Binding Sites List in 8bzl
Chlorine binding site 9 out
of 54 in the Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl302
b:85.5
occ:1.00
|
O
|
C:HOH435
|
2.8
|
43.5
|
1.0
|
NE
|
C:ARG117
|
3.1
|
46.7
|
1.0
|
NH1
|
C:ARG117
|
3.2
|
47.3
|
1.0
|
CZ
|
C:ARG117
|
3.6
|
46.7
|
1.0
|
NH2
|
C:ARG86
|
3.7
|
43.6
|
1.0
|
CD1
|
C:LEU114
|
3.7
|
40.9
|
1.0
|
CE1
|
C:TYR118
|
4.2
|
38.3
|
1.0
|
CD
|
C:ARG117
|
4.2
|
45.6
|
1.0
|
NH1
|
C:ARG124
|
4.3
|
49.3
|
1.0
|
NH1
|
C:ARG86
|
4.3
|
43.3
|
1.0
|
CZ
|
C:ARG86
|
4.5
|
43.5
|
1.0
|
NH2
|
C:ARG117
|
4.9
|
47.1
|
1.0
|
CB
|
C:ARG117
|
4.9
|
42.4
|
1.0
|
CD1
|
C:TYR118
|
4.9
|
38.3
|
1.0
|
|
Chlorine binding site 10 out
of 54 in 8bzl
Go back to
Chlorine Binding Sites List in 8bzl
Chlorine binding site 10 out
of 54 in the Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Human 20S Proteasome in Complex with Peptide Activator Peptide BLM42 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl301
b:88.0
occ:1.00
|
O
|
D:HOH425
|
3.3
|
46.8
|
1.0
|
N
|
D:GLY171
|
3.4
|
63.2
|
1.0
|
OG
|
D:SER174
|
3.4
|
68.1
|
1.0
|
CG2
|
D:ILE31
|
3.7
|
61.2
|
1.0
|
CE
|
D:LYS32
|
3.8
|
67.8
|
1.0
|
O
|
D:GLY171
|
3.8
|
66.7
|
1.0
|
CA
|
D:ILE170
|
3.9
|
62.9
|
1.0
|
C
|
D:ILE170
|
4.1
|
63.2
|
1.0
|
CB
|
D:SER174
|
4.1
|
68.7
|
1.0
|
NZ
|
D:LYS32
|
4.1
|
68.8
|
1.0
|
CB
|
D:ILE170
|
4.2
|
61.6
|
1.0
|
CA
|
D:GLY171
|
4.3
|
64.2
|
1.0
|
CB
|
D:ILE31
|
4.4
|
61.0
|
1.0
|
C
|
D:GLY171
|
4.4
|
65.8
|
1.0
|
CG2
|
D:ILE170
|
4.6
|
61.4
|
1.0
|
O
|
D:ALA169
|
4.8
|
65.0
|
1.0
|
NH2
|
D:ARG168
|
4.9
|
67.4
|
1.0
|
CD
|
D:LYS32
|
5.0
|
67.4
|
1.0
|
|
Reference:
M.Gizynska,
P.Karpowicz,
D.Sowik,
K.Trepczyk,
J.Witkowska,
F.Hennenberg,
A.Chari,
A.Gieldon,
K.Pierzynowska,
L.Gaffke,
G.Wegrzyn,
E.Jankowska.
Peptidic, BLM10-Based Activators of Human 20S Proteasome in Vitro and in Cellulo Enhance Degradation of Proteins Connected with Neurodegeneration. To Be Published.
Page generated: Tue Jul 30 07:35:00 2024
|