Magnesium in PDB 6hwb: Yeast 20S Proteasome in Complex with 44B
Enzymatic activity of Yeast 20S Proteasome in Complex with 44B
All present enzymatic activity of Yeast 20S Proteasome in Complex with 44B:
3.4.25.1;
Protein crystallography data
The structure of Yeast 20S Proteasome in Complex with 44B, PDB code: 6hwb
was solved by
E.M.Huber,
M.Groll,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
15.00 /
2.60
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
136.610,
299.920,
145.630,
90.00,
113.16,
90.00
|
R / Rfree (%)
|
18.9 /
22.1
|
Other elements in 6hwb:
The structure of Yeast 20S Proteasome in Complex with 44B also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Yeast 20S Proteasome in Complex with 44B
(pdb code 6hwb). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 10 binding sites of Magnesium where determined in the
Yeast 20S Proteasome in Complex with 44B, PDB code: 6hwb:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Magnesium binding site 1 out
of 10 in 6hwb
Go back to
Magnesium Binding Sites List in 6hwb
Magnesium binding site 1 out
of 10 in the Yeast 20S Proteasome in Complex with 44B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Yeast 20S Proteasome in Complex with 44B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mg301
b:57.0
occ:1.00
|
O
|
G:MET125
|
2.3
|
49.1
|
1.0
|
OG1
|
G:THR8
|
2.6
|
44.3
|
1.0
|
O
|
G:ARG122
|
2.7
|
47.8
|
1.0
|
O
|
G:TYR119
|
3.0
|
39.7
|
1.0
|
O
|
G:ALA123
|
3.1
|
50.2
|
1.0
|
CG2
|
G:THR8
|
3.3
|
44.1
|
1.0
|
C
|
G:MET125
|
3.4
|
50.0
|
1.0
|
CB
|
G:THR8
|
3.5
|
44.2
|
1.0
|
C
|
G:ALA123
|
3.5
|
49.7
|
1.0
|
CA
|
G:ALA123
|
3.6
|
47.2
|
1.0
|
C
|
G:ARG122
|
3.7
|
47.9
|
1.0
|
N
|
G:THR8
|
4.0
|
47.6
|
1.0
|
N
|
G:ALA123
|
4.1
|
47.3
|
1.0
|
C
|
G:TYR119
|
4.2
|
40.2
|
1.0
|
CA
|
G:ARG126
|
4.2
|
45.3
|
1.0
|
N
|
G:ARG126
|
4.2
|
47.5
|
1.0
|
N
|
G:MET125
|
4.2
|
49.0
|
1.0
|
CA
|
G:THR8
|
4.4
|
46.5
|
1.0
|
CA
|
G:MET125
|
4.4
|
52.7
|
1.0
|
O
|
G:HOH428
|
4.5
|
52.6
|
1.0
|
N
|
G:TYR124
|
4.5
|
51.4
|
1.0
|
CD
|
G:PRO127
|
4.6
|
42.5
|
1.0
|
C
|
G:ARG126
|
4.9
|
44.2
|
1.0
|
C
|
G:TYR124
|
4.9
|
48.8
|
1.0
|
CA
|
G:TYR119
|
4.9
|
37.9
|
1.0
|
CB
|
G:ALA123
|
4.9
|
45.6
|
1.0
|
|
Magnesium binding site 2 out
of 10 in 6hwb
Go back to
Magnesium Binding Sites List in 6hwb
Magnesium binding site 2 out
of 10 in the Yeast 20S Proteasome in Complex with 44B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Yeast 20S Proteasome in Complex with 44B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mg301
b:60.8
occ:1.00
|
O
|
I:ASP177
|
2.4
|
44.2
|
1.0
|
O
|
I:SER180
|
2.7
|
47.9
|
1.0
|
O
|
I:ALA174
|
2.9
|
46.7
|
1.0
|
C
|
I:ASP177
|
3.6
|
45.0
|
1.0
|
OXT
|
I:ASP204
|
3.6
|
62.3
|
1.0
|
C
|
I:SER180
|
3.9
|
48.2
|
1.0
|
C
|
I:ALA174
|
4.0
|
48.8
|
1.0
|
O
|
I:ALA178
|
4.1
|
51.7
|
1.0
|
CA
|
I:ALA178
|
4.2
|
45.2
|
1.0
|
CA
|
I:ASP175
|
4.3
|
50.5
|
1.0
|
C
|
I:ALA178
|
4.3
|
46.9
|
1.0
|
N
|
I:ALA178
|
4.3
|
44.2
|
1.0
|
C
|
I:ASP204
|
4.4
|
66.2
|
1.0
|
O
|
I:ASP204
|
4.4
|
64.8
|
1.0
|
N
|
I:ASP177
|
4.5
|
43.4
|
1.0
|
C
|
I:ASP175
|
4.5
|
49.5
|
1.0
|
N
|
I:ASP175
|
4.6
|
49.1
|
1.0
|
NH1
|
Y:ARG19
|
4.6
|
62.8
|
1.0
|
CA
|
I:ASP177
|
4.6
|
45.4
|
1.0
|
O
|
I:ASP175
|
4.6
|
50.0
|
1.0
|
N
|
I:SER180
|
4.6
|
45.2
|
1.0
|
NH2
|
Y:ARG19
|
4.7
|
62.9
|
1.0
|
N
|
I:GLY181
|
4.8
|
48.6
|
1.0
|
CA
|
I:GLY181
|
4.8
|
49.8
|
1.0
|
CA
|
I:SER180
|
4.8
|
47.0
|
1.0
|
OD1
|
I:ASP175
|
5.0
|
53.9
|
1.0
|
|
Magnesium binding site 3 out
of 10 in 6hwb
Go back to
Magnesium Binding Sites List in 6hwb
Magnesium binding site 3 out
of 10 in the Yeast 20S Proteasome in Complex with 44B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Yeast 20S Proteasome in Complex with 44B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Mg302
b:70.4
occ:1.00
|
O
|
K:ASP168
|
2.2
|
40.0
|
1.0
|
O
|
K:ALA165
|
2.4
|
46.8
|
1.0
|
O
|
W:ASP204
|
2.4
|
65.8
|
1.0
|
O
|
K:SER171
|
2.9
|
48.1
|
1.0
|
C
|
W:ASP204
|
3.1
|
64.7
|
1.0
|
C
|
K:ASP168
|
3.2
|
43.8
|
1.0
|
C
|
K:ALA165
|
3.5
|
47.9
|
1.0
|
CA
|
W:ASP204
|
3.6
|
61.2
|
1.0
|
O
|
K:HIS166
|
3.6
|
47.0
|
1.0
|
CA
|
K:ALA169
|
3.7
|
47.1
|
1.0
|
N
|
K:ALA169
|
3.8
|
45.6
|
1.0
|
OXT
|
W:ASP204
|
4.0
|
69.9
|
1.0
|
C
|
K:ALA169
|
4.0
|
48.6
|
1.0
|
O
|
K:ALA169
|
4.0
|
49.9
|
1.0
|
C
|
K:HIS166
|
4.0
|
46.1
|
1.0
|
CB
|
W:ASP204
|
4.1
|
59.7
|
1.0
|
NH1
|
K:ARG19
|
4.1
|
62.3
|
1.0
|
C
|
K:SER171
|
4.1
|
46.9
|
1.0
|
N
|
K:ASP168
|
4.3
|
46.4
|
1.0
|
CA
|
K:ASP168
|
4.4
|
44.6
|
1.0
|
N
|
K:HIS166
|
4.4
|
46.6
|
1.0
|
CA
|
K:ALA165
|
4.4
|
48.1
|
1.0
|
N
|
K:SER171
|
4.4
|
45.2
|
1.0
|
CA
|
K:HIS166
|
4.5
|
46.6
|
1.0
|
C
|
K:ARG167
|
4.6
|
46.8
|
1.0
|
O
|
K:ALA164
|
4.6
|
47.4
|
1.0
|
N
|
K:ARG167
|
4.7
|
44.5
|
1.0
|
CZ
|
K:ARG19
|
4.7
|
59.5
|
1.0
|
N
|
K:TYR170
|
4.8
|
46.9
|
1.0
|
CA
|
K:SER171
|
4.8
|
44.0
|
1.0
|
O
|
K:ARG167
|
4.9
|
48.8
|
1.0
|
N
|
W:ASP204
|
4.9
|
58.2
|
1.0
|
NH2
|
K:ARG19
|
4.9
|
64.8
|
1.0
|
|
Magnesium binding site 4 out
of 10 in 6hwb
Go back to
Magnesium Binding Sites List in 6hwb
Magnesium binding site 4 out
of 10 in the Yeast 20S Proteasome in Complex with 44B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Yeast 20S Proteasome in Complex with 44B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Mg303
b:47.6
occ:1.00
|
OG1
|
K:THR21
|
3.6
|
48.3
|
1.0
|
CG
|
K:TYR170
|
3.8
|
43.6
|
1.0
|
CB
|
K:TYR170
|
4.0
|
44.4
|
1.0
|
CD2
|
K:TYR170
|
4.0
|
42.9
|
1.0
|
O13
|
K:GWT301
|
4.1
|
51.2
|
1.0
|
CD1
|
K:TYR170
|
4.2
|
42.8
|
1.0
|
O2S
|
K:MES304
|
4.4
|
53.1
|
0.8
|
C10
|
K:GWT301
|
4.5
|
46.6
|
1.0
|
CE2
|
K:TYR170
|
4.6
|
41.3
|
1.0
|
C40
|
K:GWT301
|
4.8
|
43.3
|
1.0
|
CB
|
K:THR21
|
4.8
|
49.6
|
1.0
|
CE1
|
K:TYR170
|
4.8
|
41.5
|
1.0
|
C12
|
K:GWT301
|
4.8
|
47.4
|
1.0
|
C11
|
K:GWT301
|
4.9
|
46.7
|
1.0
|
O3S
|
K:MES304
|
4.9
|
45.8
|
0.8
|
CZ
|
K:TYR170
|
4.9
|
41.1
|
1.0
|
CB
|
K:SER131
|
4.9
|
36.7
|
1.0
|
|
Magnesium binding site 5 out
of 10 in 6hwb
Go back to
Magnesium Binding Sites List in 6hwb
Magnesium binding site 5 out
of 10 in the Yeast 20S Proteasome in Complex with 44B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Yeast 20S Proteasome in Complex with 44B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
N:Mg201
b:53.5
occ:1.00
|
O
|
N:ILE163
|
2.7
|
50.0
|
1.0
|
O
|
N:SER169
|
2.8
|
53.0
|
1.0
|
O
|
N:ASP166
|
3.1
|
49.1
|
1.0
|
CD1
|
a:LEU34
|
3.6
|
49.2
|
1.0
|
NH1
|
N:ARG19
|
3.7
|
52.5
|
1.0
|
C
|
N:ILE163
|
3.8
|
50.7
|
1.0
|
CG2
|
N:ILE163
|
3.9
|
50.1
|
1.0
|
C
|
N:SER169
|
3.9
|
48.8
|
1.0
|
C
|
N:ASP166
|
4.1
|
46.9
|
1.0
|
CZ
|
N:ARG19
|
4.2
|
49.9
|
1.0
|
CA
|
N:GLY167
|
4.3
|
46.7
|
1.0
|
CA
|
N:GLY170
|
4.4
|
50.1
|
1.0
|
NH2
|
N:ARG19
|
4.4
|
48.2
|
1.0
|
CA
|
N:ILE163
|
4.5
|
50.2
|
1.0
|
O
|
N:GLY167
|
4.5
|
46.4
|
1.0
|
N
|
N:GLY170
|
4.6
|
49.8
|
1.0
|
N
|
N:GLY167
|
4.6
|
45.9
|
1.0
|
C
|
N:GLY167
|
4.7
|
46.1
|
1.0
|
N
|
N:LYS164
|
4.8
|
51.0
|
1.0
|
CB
|
N:ILE163
|
4.8
|
49.5
|
1.0
|
CG
|
a:LEU34
|
4.9
|
51.0
|
1.0
|
CA
|
N:LYS164
|
5.0
|
51.7
|
1.0
|
O
|
N:LYS164
|
5.0
|
53.5
|
1.0
|
C
|
N:LYS164
|
5.0
|
52.6
|
1.0
|
|
Magnesium binding site 6 out
of 10 in 6hwb
Go back to
Magnesium Binding Sites List in 6hwb
Magnesium binding site 6 out
of 10 in the Yeast 20S Proteasome in Complex with 44B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Yeast 20S Proteasome in Complex with 44B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
V:Mg302
b:84.6
occ:1.00
|
OXT
|
L:ASP222
|
2.3
|
70.5
|
1.0
|
O
|
V:ILE163
|
2.3
|
52.9
|
1.0
|
O
|
V:ASP166
|
2.4
|
47.1
|
1.0
|
C
|
L:ASP222
|
3.1
|
73.2
|
1.0
|
C
|
V:ASP166
|
3.2
|
51.3
|
1.0
|
O
|
V:TRP164
|
3.2
|
59.4
|
1.0
|
O
|
V:SER169
|
3.3
|
53.9
|
1.0
|
C
|
V:ILE163
|
3.3
|
57.0
|
1.0
|
C
|
V:TRP164
|
3.5
|
56.3
|
1.0
|
CA
|
L:ASP222
|
3.6
|
71.3
|
1.0
|
N
|
V:ASP166
|
3.7
|
48.8
|
1.0
|
N
|
V:LEU167
|
3.9
|
52.5
|
1.0
|
O
|
L:ASP222
|
3.9
|
76.0
|
1.0
|
CA
|
V:TRP164
|
3.9
|
55.9
|
1.0
|
CA
|
V:LEU167
|
4.0
|
52.8
|
1.0
|
O
|
V:GLY162
|
4.0
|
58.5
|
1.0
|
N
|
V:TRP164
|
4.0
|
55.6
|
1.0
|
N
|
V:ASN165
|
4.0
|
54.9
|
1.0
|
CA
|
V:ASP166
|
4.1
|
51.0
|
1.0
|
C
|
V:ASN165
|
4.3
|
51.4
|
1.0
|
O
|
L:ARG221
|
4.4
|
67.9
|
1.0
|
CA
|
V:ILE163
|
4.4
|
56.9
|
1.0
|
CB
|
L:ASP222
|
4.5
|
71.5
|
1.0
|
C
|
V:SER169
|
4.5
|
50.4
|
1.0
|
CD2
|
V:LEU167
|
4.6
|
51.9
|
1.0
|
CA
|
V:ASN165
|
4.6
|
53.8
|
1.0
|
NH1
|
V:ARG19
|
4.6
|
65.8
|
1.0
|
C
|
V:LEU167
|
4.7
|
51.8
|
1.0
|
CD1
|
L:ILE35
|
4.7
|
59.4
|
1.0
|
N
|
L:ASP222
|
4.8
|
70.6
|
1.0
|
O
|
V:ASN165
|
5.0
|
50.3
|
1.0
|
C
|
V:GLY162
|
5.0
|
56.4
|
1.0
|
|
Magnesium binding site 7 out
of 10 in 6hwb
Go back to
Magnesium Binding Sites List in 6hwb
Magnesium binding site 7 out
of 10 in the Yeast 20S Proteasome in Complex with 44B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Yeast 20S Proteasome in Complex with 44B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
X:Mg201
b:45.3
occ:1.00
|
OE1
|
X:GLN118
|
3.5
|
44.7
|
1.0
|
O
|
X:THR124
|
3.6
|
48.5
|
1.0
|
CB
|
X:ASP120
|
3.9
|
41.0
|
1.0
|
N
|
X:ASP120
|
4.0
|
38.1
|
1.0
|
CG
|
X:ASP120
|
4.1
|
43.5
|
1.0
|
OD2
|
X:ASP120
|
4.2
|
44.5
|
1.0
|
CG
|
X:GLN118
|
4.2
|
41.1
|
1.0
|
CD
|
X:GLN118
|
4.2
|
42.0
|
1.0
|
CB
|
X:THR124
|
4.3
|
44.0
|
1.0
|
O
|
X:GLN118
|
4.3
|
41.7
|
1.0
|
CE1
|
X:HIS133
|
4.4
|
43.0
|
1.0
|
CG2
|
X:THR124
|
4.4
|
44.7
|
1.0
|
CA
|
X:ASP120
|
4.6
|
39.1
|
1.0
|
C
|
X:THR124
|
4.6
|
45.7
|
1.0
|
O
|
X:HOH308
|
4.6
|
45.7
|
1.0
|
C
|
X:ILE119
|
4.7
|
38.1
|
1.0
|
C
|
X:GLN118
|
4.7
|
41.5
|
1.0
|
OD1
|
X:ASP120
|
4.7
|
48.0
|
1.0
|
CG1
|
W:VAL35
|
4.8
|
48.1
|
1.0
|
CA
|
X:ILE119
|
4.9
|
38.0
|
1.0
|
CD2
|
W:LEU28
|
4.9
|
49.6
|
1.0
|
CB
|
X:GLN118
|
4.9
|
40.1
|
1.0
|
N
|
X:ILE119
|
5.0
|
39.4
|
1.0
|
|
Magnesium binding site 8 out
of 10 in 6hwb
Go back to
Magnesium Binding Sites List in 6hwb
Magnesium binding site 8 out
of 10 in the Yeast 20S Proteasome in Complex with 44B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Yeast 20S Proteasome in Complex with 44B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Y:Mg302
b:64.7
occ:1.00
|
O
|
I:ASP204
|
2.2
|
64.8
|
1.0
|
O
|
Y:ASP168
|
2.3
|
43.3
|
1.0
|
O
|
Y:ALA165
|
2.5
|
44.9
|
1.0
|
O
|
Y:SER171
|
2.8
|
48.6
|
1.0
|
C
|
I:ASP204
|
3.1
|
66.2
|
1.0
|
C
|
Y:ASP168
|
3.3
|
43.1
|
1.0
|
CA
|
Y:ALA169
|
3.6
|
42.6
|
1.0
|
CA
|
I:ASP204
|
3.6
|
64.0
|
1.0
|
C
|
Y:ALA165
|
3.7
|
45.8
|
1.0
|
NH1
|
Y:ARG19
|
3.8
|
62.8
|
1.0
|
O
|
Y:ALA169
|
3.8
|
44.2
|
1.0
|
C
|
Y:ALA169
|
3.8
|
42.7
|
1.0
|
N
|
Y:ALA169
|
3.8
|
43.7
|
1.0
|
O
|
Y:HIS166
|
3.9
|
49.4
|
1.0
|
OXT
|
I:ASP204
|
4.0
|
62.3
|
1.0
|
C
|
Y:SER171
|
4.0
|
42.7
|
1.0
|
CB
|
I:ASP204
|
4.1
|
62.9
|
1.0
|
N
|
Y:SER171
|
4.3
|
39.6
|
1.0
|
C
|
Y:HIS166
|
4.3
|
46.3
|
1.0
|
CZ
|
Y:ARG19
|
4.4
|
60.2
|
1.0
|
CA
|
Y:ASP168
|
4.5
|
42.4
|
1.0
|
N
|
Y:ASP168
|
4.5
|
44.5
|
1.0
|
CA
|
Y:ALA165
|
4.6
|
44.6
|
1.0
|
N
|
Y:HIS166
|
4.6
|
45.6
|
1.0
|
NH2
|
Y:ARG19
|
4.6
|
62.9
|
1.0
|
N
|
Y:TYR170
|
4.7
|
42.3
|
1.0
|
CA
|
Y:SER171
|
4.7
|
38.2
|
1.0
|
CA
|
Y:HIS166
|
4.7
|
43.3
|
1.0
|
O
|
Y:ALA164
|
4.8
|
43.5
|
1.0
|
C
|
Y:ARG167
|
4.9
|
45.0
|
1.0
|
CB
|
Y:ALA169
|
4.9
|
41.2
|
1.0
|
N
|
Y:GLY172
|
5.0
|
45.7
|
1.0
|
N
|
I:ASP204
|
5.0
|
61.1
|
1.0
|
|
Magnesium binding site 9 out
of 10 in 6hwb
Go back to
Magnesium Binding Sites List in 6hwb
Magnesium binding site 9 out
of 10 in the Yeast 20S Proteasome in Complex with 44B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Yeast 20S Proteasome in Complex with 44B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Y:Mg303
b:45.5
occ:1.00
|
OG1
|
Y:THR21
|
3.5
|
42.7
|
1.0
|
CG
|
Y:TYR170
|
3.8
|
43.1
|
1.0
|
CB
|
Y:TYR170
|
3.9
|
42.3
|
1.0
|
O13
|
Y:GWT301
|
4.0
|
53.2
|
1.0
|
CD2
|
Y:TYR170
|
4.0
|
43.5
|
1.0
|
CD1
|
Y:TYR170
|
4.1
|
43.0
|
1.0
|
C10
|
Y:GWT301
|
4.5
|
46.9
|
1.0
|
CE2
|
Y:TYR170
|
4.6
|
44.5
|
1.0
|
O2S
|
Y:MES304
|
4.6
|
51.0
|
0.8
|
CB
|
Y:THR21
|
4.6
|
44.4
|
1.0
|
C40
|
Y:GWT301
|
4.6
|
42.9
|
1.0
|
C12
|
Y:GWT301
|
4.7
|
46.9
|
1.0
|
CE1
|
Y:TYR170
|
4.7
|
42.4
|
1.0
|
CZ
|
Y:TYR170
|
4.9
|
44.0
|
1.0
|
C11
|
Y:GWT301
|
4.9
|
46.1
|
1.0
|
CG2
|
Y:THR21
|
4.9
|
44.0
|
1.0
|
O3S
|
Y:MES304
|
5.0
|
43.1
|
0.8
|
|
Magnesium binding site 10 out
of 10 in 6hwb
Go back to
Magnesium Binding Sites List in 6hwb
Magnesium binding site 10 out
of 10 in the Yeast 20S Proteasome in Complex with 44B
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of Yeast 20S Proteasome in Complex with 44B within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Z:Mg301
b:65.0
occ:1.00
|
O
|
Z:VAL198
|
2.4
|
52.7
|
1.0
|
O
|
Z:THR192
|
2.7
|
60.0
|
1.0
|
O
|
Z:HIS195
|
3.1
|
44.6
|
1.0
|
O
|
Z:ASP222
|
3.4
|
72.9
|
1.0
|
NH2
|
Z:ARG28
|
3.5
|
63.3
|
1.0
|
CG2
|
Z:THR192
|
3.5
|
60.3
|
1.0
|
C
|
Z:VAL198
|
3.6
|
52.5
|
1.0
|
C
|
Z:THR192
|
3.7
|
60.2
|
1.0
|
O
|
Z:ILE196
|
4.0
|
53.3
|
1.0
|
CA
|
Z:THR192
|
4.0
|
59.6
|
1.0
|
C
|
Z:HIS195
|
4.1
|
47.9
|
1.0
|
CA
|
Z:ILE196
|
4.2
|
49.5
|
1.0
|
OD1
|
Z:ASP222
|
4.3
|
68.1
|
1.0
|
C
|
Z:ILE196
|
4.3
|
48.6
|
1.0
|
NH2
|
H:ARG19
|
4.4
|
60.8
|
1.0
|
CB
|
Z:THR192
|
4.4
|
59.9
|
1.0
|
CA
|
Z:GLY199
|
4.4
|
54.1
|
1.0
|
N
|
Z:GLY199
|
4.5
|
53.8
|
1.0
|
CZ
|
Z:ARG28
|
4.5
|
62.9
|
1.0
|
N
|
Z:VAL198
|
4.5
|
47.7
|
1.0
|
C
|
Z:ASP222
|
4.5
|
73.3
|
1.0
|
CA
|
Z:VAL198
|
4.6
|
49.6
|
1.0
|
N
|
Z:ILE196
|
4.6
|
48.1
|
1.0
|
NH1
|
Z:ARG28
|
4.7
|
65.2
|
1.0
|
O
|
Z:LYS220
|
4.7
|
62.1
|
1.0
|
N
|
Z:GLU193
|
4.9
|
59.1
|
1.0
|
|
Reference:
B.T.Xin,
E.M.Huber,
G.De Bruin,
W.Heinemeyer,
E.Maurits,
C.Espinal,
Y.Du,
M.Janssens,
E.S.Weyburne,
A.F.Kisselev,
B.I.Florea,
C.Driessen,
G.A.Van Der Marel,
M.Groll,
H.S.Overkleeft.
Structure-Based Design of Inhibitors Selective For Human Proteasome Beta 2C or Beta 2I Subunits. J.Med.Chem. V. 62 1626 2019.
ISSN: ISSN 0022-2623
PubMed: 30657666
DOI: 10.1021/ACS.JMEDCHEM.8B01884
Page generated: Tue Oct 1 02:41:00 2024
|