Bromine in PDB 4u7f: Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat
Enzymatic activity of Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat
All present enzymatic activity of Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat:
1.10.99.2;
Protein crystallography data
The structure of Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat, PDB code: 4u7f
was solved by
K.K.Leung,
B.H.Shilton,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
17.94 /
1.80
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
56.120,
83.140,
106.460,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
18.6 /
22.4
|
Other elements in 4u7f:
The structure of Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat also contains other interesting chemical elements:
Bromine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
16;
Binding sites:
The binding sites of Bromine atom in the Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat
(pdb code 4u7f). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 16 binding sites of Bromine where determined in the
Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat, PDB code: 4u7f:
Jump to Bromine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Bromine binding site 1 out
of 16 in 4u7f
Go back to
Bromine Binding Sites List in 4u7f
Bromine binding site 1 out
of 16 in the Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 1 of Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br301
b:32.3
occ:0.27
|
BR1
|
B:K25301
|
0.0
|
32.3
|
0.3
|
|
BR11
|
B:K25301
|
0.5
|
35.3
|
0.3
|
|
C2
|
B:K25301
|
1.9
|
21.9
|
0.3
|
|
C5
|
B:K25301
|
2.3
|
21.4
|
0.3
|
|
C3
|
B:K25301
|
2.7
|
20.0
|
0.3
|
|
BR9
|
B:K25301
|
2.9
|
25.3
|
0.3
|
|
C5
|
B:K25301
|
3.0
|
22.5
|
0.3
|
|
C2
|
B:K25301
|
3.2
|
19.7
|
0.3
|
|
C7
|
B:K25301
|
3.2
|
22.6
|
0.3
|
|
C
|
A:GLY149
|
3.3
|
24.7
|
1.0
|
|
BR11
|
B:K25301
|
3.3
|
27.0
|
0.3
|
|
CA
|
A:GLY149
|
3.4
|
25.2
|
1.0
|
|
BR1
|
B:K25301
|
3.5
|
20.4
|
0.3
|
|
N
|
A:GLY150
|
3.6
|
20.4
|
1.0
|
|
N14
|
B:K25301
|
3.6
|
23.5
|
0.3
|
|
O
|
A:GLY149
|
3.7
|
23.8
|
1.0
|
|
O
|
A:HOH458
|
3.7
|
22.8
|
1.0
|
|
H
|
A:GLY150
|
3.8
|
24.5
|
1.0
|
|
N1
|
A:FAD302
|
3.9
|
15.8
|
1.0
|
|
C4
|
B:K25301
|
4.1
|
19.4
|
0.3
|
|
C2
|
A:FAD302
|
4.2
|
16.1
|
1.0
|
|
O2
|
A:FAD302
|
4.2
|
19.8
|
1.0
|
|
O
|
A:HOH490
|
4.2
|
25.3
|
1.0
|
|
H
|
A:GLY149
|
4.3
|
21.1
|
1.0
|
|
C7
|
B:K25301
|
4.3
|
20.6
|
0.3
|
|
CA
|
A:GLY150
|
4.3
|
22.9
|
1.0
|
|
N
|
A:GLY149
|
4.4
|
17.6
|
1.0
|
|
C3
|
B:K25301
|
4.5
|
19.9
|
0.3
|
|
C10
|
A:FAD302
|
4.5
|
15.7
|
1.0
|
|
C8
|
B:K25301
|
4.6
|
20.6
|
0.3
|
|
C1'
|
A:FAD302
|
4.6
|
19.5
|
1.0
|
|
C8
|
B:K25301
|
4.7
|
20.9
|
0.3
|
|
N10
|
A:FAD302
|
4.9
|
17.6
|
1.0
|
|
C13
|
B:K25301
|
5.0
|
18.4
|
0.3
|
|
Bromine binding site 2 out
of 16 in 4u7f
Go back to
Bromine Binding Sites List in 4u7f
Bromine binding site 2 out
of 16 in the Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 2 of Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br301
b:20.4
occ:0.33
|
BR1
|
B:K25301
|
0.0
|
20.4
|
0.3
|
|
BR9
|
B:K25301
|
0.9
|
25.3
|
0.3
|
|
C3
|
B:K25301
|
1.6
|
20.0
|
0.3
|
|
C2
|
B:K25301
|
1.9
|
19.7
|
0.3
|
|
C4
|
B:K25301
|
2.2
|
19.4
|
0.3
|
|
BR10
|
B:K25301
|
2.5
|
28.6
|
0.3
|
|
C3
|
B:K25301
|
2.8
|
19.9
|
0.3
|
|
C2
|
B:K25301
|
2.9
|
21.9
|
0.3
|
|
C5
|
B:K25301
|
2.9
|
21.4
|
0.3
|
|
BR11
|
B:K25301
|
3.3
|
35.3
|
0.3
|
|
O
|
A:HOH437
|
3.3
|
19.3
|
1.0
|
|
BR9
|
B:K25301
|
3.3
|
21.2
|
0.3
|
|
CZ
|
B:PHE178
|
3.3
|
17.9
|
1.0
|
|
O
|
A:HOH442
|
3.4
|
19.3
|
1.0
|
|
BR1
|
B:K25301
|
3.5
|
32.3
|
0.3
|
|
C8
|
B:K25301
|
3.6
|
20.9
|
0.3
|
|
C4
|
A:FAD302
|
3.7
|
14.2
|
1.0
|
|
C4X
|
A:FAD302
|
3.7
|
15.6
|
1.0
|
|
CE1
|
B:PHE178
|
3.8
|
18.6
|
1.0
|
|
N3
|
A:FAD302
|
3.8
|
13.1
|
1.0
|
|
CE2
|
B:PHE178
|
3.8
|
18.8
|
1.0
|
|
C10
|
A:FAD302
|
3.9
|
15.7
|
1.0
|
|
C2
|
A:FAD302
|
4.0
|
16.1
|
1.0
|
|
O
|
A:HOH458
|
4.0
|
22.8
|
1.0
|
|
N1
|
A:FAD302
|
4.0
|
15.8
|
1.0
|
|
C5
|
B:K25301
|
4.1
|
22.5
|
0.3
|
|
C4
|
B:K25301
|
4.1
|
20.8
|
0.3
|
|
O4
|
A:FAD302
|
4.1
|
14.9
|
1.0
|
|
C7
|
B:K25301
|
4.2
|
22.6
|
0.3
|
|
N5
|
A:FAD302
|
4.3
|
13.3
|
1.0
|
|
C7
|
B:K25301
|
4.3
|
20.6
|
0.3
|
|
CD1
|
B:PHE178
|
4.6
|
15.5
|
1.0
|
|
N10
|
A:FAD302
|
4.6
|
17.6
|
1.0
|
|
CD2
|
B:PHE178
|
4.6
|
14.9
|
1.0
|
|
C8
|
B:K25301
|
4.7
|
20.6
|
0.3
|
|
O2
|
A:FAD302
|
4.7
|
19.8
|
1.0
|
|
N6
|
B:K25301
|
4.7
|
21.2
|
0.3
|
|
C5X
|
A:FAD302
|
5.0
|
15.0
|
1.0
|
|
CG
|
B:PHE178
|
5.0
|
15.4
|
1.0
|
|
Bromine binding site 3 out
of 16 in 4u7f
Go back to
Bromine Binding Sites List in 4u7f
Bromine binding site 3 out
of 16 in the Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 3 of Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br301
b:25.3
occ:0.27
|
BR9
|
B:K25301
|
0.0
|
25.3
|
0.3
|
|
BR1
|
B:K25301
|
0.9
|
20.4
|
0.3
|
|
C3
|
B:K25301
|
1.9
|
20.0
|
0.3
|
|
C2
|
B:K25301
|
2.3
|
19.7
|
0.3
|
|
BR11
|
B:K25301
|
2.7
|
35.3
|
0.3
|
|
C2
|
B:K25301
|
2.7
|
21.9
|
0.3
|
|
C4
|
B:K25301
|
2.9
|
19.4
|
0.3
|
|
C5
|
B:K25301
|
2.9
|
21.4
|
0.3
|
|
BR1
|
B:K25301
|
2.9
|
32.3
|
0.3
|
|
O
|
A:HOH437
|
3.0
|
19.3
|
1.0
|
|
O
|
A:HOH458
|
3.2
|
22.8
|
1.0
|
|
BR10
|
B:K25301
|
3.4
|
28.6
|
0.3
|
|
C3
|
B:K25301
|
3.5
|
19.9
|
0.3
|
|
CZ
|
B:PHE178
|
3.6
|
17.9
|
1.0
|
|
C2
|
A:FAD302
|
3.7
|
16.1
|
1.0
|
|
N3
|
A:FAD302
|
3.7
|
13.1
|
1.0
|
|
O
|
A:HOH442
|
3.8
|
19.3
|
1.0
|
|
N1
|
A:FAD302
|
3.8
|
15.8
|
1.0
|
|
CE1
|
B:PHE178
|
3.8
|
18.6
|
1.0
|
|
C4
|
A:FAD302
|
3.9
|
14.2
|
1.0
|
|
C10
|
A:FAD302
|
4.0
|
15.7
|
1.0
|
|
C4X
|
A:FAD302
|
4.0
|
15.6
|
1.0
|
|
C5
|
B:K25301
|
4.1
|
22.5
|
0.3
|
|
O2
|
A:FAD302
|
4.1
|
19.8
|
1.0
|
|
C8
|
B:K25301
|
4.2
|
20.9
|
0.3
|
|
BR9
|
B:K25301
|
4.2
|
21.2
|
0.3
|
|
C7
|
B:K25301
|
4.3
|
22.6
|
0.3
|
|
CE2
|
B:PHE178
|
4.4
|
18.8
|
1.0
|
|
O4
|
A:FAD302
|
4.5
|
14.9
|
1.0
|
|
O
|
A:HOH490
|
4.5
|
25.3
|
1.0
|
|
C4
|
B:K25301
|
4.7
|
20.8
|
0.3
|
|
C7
|
B:K25301
|
4.7
|
20.6
|
0.3
|
|
CD1
|
B:PHE178
|
4.8
|
15.5
|
1.0
|
|
N10
|
A:FAD302
|
4.8
|
17.6
|
1.0
|
|
N5
|
A:FAD302
|
4.8
|
13.3
|
1.0
|
|
H
|
A:GLY150
|
4.9
|
24.5
|
1.0
|
|
HD22
|
A:ASN161
|
5.0
|
23.6
|
1.0
|
|
Bromine binding site 4 out
of 16 in 4u7f
Go back to
Bromine Binding Sites List in 4u7f
Bromine binding site 4 out
of 16 in the Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 4 of Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br301
b:21.2
occ:0.33
|
BR9
|
B:K25301
|
0.0
|
21.2
|
0.3
|
|
BR10
|
B:K25301
|
1.0
|
28.6
|
0.3
|
|
C3
|
B:K25301
|
1.9
|
19.9
|
0.3
|
|
C4
|
B:K25301
|
2.1
|
19.4
|
0.3
|
|
C8
|
B:K25301
|
2.6
|
20.9
|
0.3
|
|
N6
|
B:K25301
|
2.6
|
21.2
|
0.3
|
|
C4
|
B:K25301
|
2.8
|
20.8
|
0.3
|
|
C2
|
B:K25301
|
2.9
|
19.7
|
0.3
|
|
BR10
|
B:K25301
|
3.0
|
36.0
|
0.3
|
|
CH2
|
A:TRP105
|
3.3
|
18.5
|
1.0
|
|
BR1
|
B:K25301
|
3.3
|
20.4
|
0.3
|
|
C3
|
B:K25301
|
3.3
|
20.0
|
0.3
|
|
N5
|
A:FAD302
|
3.5
|
13.3
|
1.0
|
|
CZ2
|
A:TRP105
|
3.5
|
17.9
|
1.0
|
|
CZ3
|
A:TRP105
|
3.5
|
14.2
|
1.0
|
|
C5X
|
A:FAD302
|
3.6
|
15.0
|
1.0
|
|
CZ
|
B:PHE126
|
3.6
|
21.5
|
1.0
|
|
CE1
|
B:PHE126
|
3.7
|
17.4
|
1.0
|
|
C6
|
A:FAD302
|
3.8
|
16.7
|
1.0
|
|
CE2
|
A:TRP105
|
3.9
|
16.8
|
1.0
|
|
C13
|
B:K25301
|
4.0
|
20.8
|
0.3
|
|
C7
|
B:K25301
|
4.0
|
20.6
|
0.3
|
|
CE3
|
A:TRP105
|
4.0
|
12.2
|
1.0
|
|
C4X
|
A:FAD302
|
4.1
|
15.6
|
1.0
|
|
CE2
|
B:PHE178
|
4.1
|
18.8
|
1.0
|
|
C8
|
B:K25301
|
4.1
|
20.6
|
0.3
|
|
CD2
|
A:TRP105
|
4.2
|
16.1
|
1.0
|
|
BR9
|
B:K25301
|
4.2
|
25.3
|
0.3
|
|
C9A
|
A:FAD302
|
4.2
|
15.9
|
1.0
|
|
C5
|
B:K25301
|
4.2
|
21.4
|
0.3
|
|
CE2
|
B:PHE126
|
4.3
|
19.8
|
1.0
|
|
O
|
A:HOH442
|
4.5
|
19.3
|
1.0
|
|
C2
|
B:K25301
|
4.5
|
21.9
|
0.3
|
|
CD1
|
B:PHE126
|
4.5
|
18.3
|
1.0
|
|
C7
|
A:FAD302
|
4.6
|
17.8
|
1.0
|
|
CD2
|
B:PHE178
|
4.6
|
14.9
|
1.0
|
|
C10
|
A:FAD302
|
4.6
|
15.7
|
1.0
|
|
N14
|
B:K25301
|
4.6
|
22.0
|
0.3
|
|
C4
|
A:FAD302
|
4.7
|
14.2
|
1.0
|
|
N10
|
A:FAD302
|
4.7
|
17.6
|
1.0
|
|
C7
|
B:K25301
|
4.7
|
22.6
|
0.3
|
|
CZ
|
B:PHE178
|
4.7
|
17.9
|
1.0
|
|
C5
|
B:K25301
|
4.8
|
22.5
|
0.3
|
|
O4
|
A:FAD302
|
4.8
|
14.9
|
1.0
|
|
NE1
|
A:TRP105
|
4.8
|
15.4
|
1.0
|
|
H
|
A:TRP105
|
4.8
|
11.5
|
1.0
|
|
N15
|
B:K25301
|
4.8
|
21.9
|
0.3
|
|
C9
|
A:FAD302
|
4.9
|
19.4
|
1.0
|
|
C17
|
B:K25301
|
5.0
|
21.2
|
0.3
|
|
Bromine binding site 5 out
of 16 in 4u7f
Go back to
Bromine Binding Sites List in 4u7f
Bromine binding site 5 out
of 16 in the Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 5 of Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br301
b:28.6
occ:0.27
|
BR10
|
B:K25301
|
0.0
|
28.6
|
0.3
|
|
BR9
|
B:K25301
|
1.0
|
21.2
|
0.3
|
|
C4
|
B:K25301
|
1.9
|
19.4
|
0.3
|
|
C3
|
B:K25301
|
2.0
|
19.9
|
0.3
|
|
BR1
|
B:K25301
|
2.5
|
20.4
|
0.3
|
|
C2
|
B:K25301
|
2.6
|
19.7
|
0.3
|
|
C3
|
B:K25301
|
2.9
|
20.0
|
0.3
|
|
C8
|
B:K25301
|
2.9
|
20.9
|
0.3
|
|
C4
|
B:K25301
|
3.2
|
20.8
|
0.3
|
|
N6
|
B:K25301
|
3.3
|
21.2
|
0.3
|
|
CZ3
|
A:TRP105
|
3.4
|
14.2
|
1.0
|
|
BR9
|
B:K25301
|
3.4
|
25.3
|
0.3
|
|
CH2
|
A:TRP105
|
3.4
|
18.5
|
1.0
|
|
CE2
|
B:PHE178
|
3.4
|
18.8
|
1.0
|
|
N5
|
A:FAD302
|
3.6
|
13.3
|
1.0
|
|
O
|
A:HOH442
|
3.7
|
19.3
|
1.0
|
|
CZ
|
B:PHE178
|
3.9
|
17.9
|
1.0
|
|
BR10
|
B:K25301
|
3.9
|
36.0
|
0.3
|
|
CZ
|
B:PHE126
|
3.9
|
21.5
|
1.0
|
|
C4X
|
A:FAD302
|
3.9
|
15.6
|
1.0
|
|
CE3
|
A:TRP105
|
3.9
|
12.2
|
1.0
|
|
CD2
|
B:PHE178
|
4.0
|
14.9
|
1.0
|
|
C5
|
B:K25301
|
4.0
|
21.4
|
0.3
|
|
CZ2
|
A:TRP105
|
4.0
|
17.9
|
1.0
|
|
C5X
|
A:FAD302
|
4.0
|
15.0
|
1.0
|
|
CE1
|
B:PHE126
|
4.1
|
17.4
|
1.0
|
|
C2
|
B:K25301
|
4.2
|
21.9
|
0.3
|
|
C7
|
B:K25301
|
4.2
|
20.6
|
0.3
|
|
C4
|
A:FAD302
|
4.3
|
14.2
|
1.0
|
|
O4
|
A:FAD302
|
4.3
|
14.9
|
1.0
|
|
CE2
|
B:PHE126
|
4.4
|
19.8
|
1.0
|
|
CE2
|
A:TRP105
|
4.4
|
16.8
|
1.0
|
|
CD2
|
A:TRP105
|
4.4
|
16.1
|
1.0
|
|
C8
|
B:K25301
|
4.4
|
20.6
|
0.3
|
|
C6
|
A:FAD302
|
4.5
|
16.7
|
1.0
|
|
C10
|
A:FAD302
|
4.5
|
15.7
|
1.0
|
|
C9A
|
A:FAD302
|
4.6
|
15.9
|
1.0
|
|
C13
|
B:K25301
|
4.6
|
20.8
|
0.3
|
|
CD1
|
B:PHE126
|
4.7
|
18.3
|
1.0
|
|
CE1
|
B:PHE178
|
4.7
|
18.6
|
1.0
|
|
C7
|
B:K25301
|
4.7
|
22.6
|
0.3
|
|
C5
|
B:K25301
|
4.7
|
22.5
|
0.3
|
|
CG
|
B:PHE178
|
4.8
|
15.4
|
1.0
|
|
N10
|
A:FAD302
|
4.8
|
17.6
|
1.0
|
|
CD2
|
B:PHE126
|
4.9
|
18.5
|
1.0
|
|
H
|
A:TRP105
|
4.9
|
11.5
|
1.0
|
|
Bromine binding site 6 out
of 16 in 4u7f
Go back to
Bromine Binding Sites List in 4u7f
Bromine binding site 6 out
of 16 in the Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 6 of Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br301
b:36.0
occ:0.33
|
BR10
|
B:K25301
|
0.0
|
36.0
|
0.3
|
|
N6
|
B:K25301
|
1.0
|
21.2
|
0.3
|
|
C13
|
B:K25301
|
1.4
|
20.8
|
0.3
|
|
N15
|
B:K25301
|
1.9
|
21.9
|
0.3
|
|
C4
|
B:K25301
|
1.9
|
20.8
|
0.3
|
|
C17
|
B:K25301
|
2.1
|
21.2
|
0.3
|
|
C8
|
B:K25301
|
2.3
|
20.9
|
0.3
|
|
N14
|
B:K25301
|
2.7
|
22.0
|
0.3
|
|
C3
|
B:K25301
|
2.8
|
19.9
|
0.3
|
|
C8
|
B:K25301
|
2.9
|
20.6
|
0.3
|
|
BR9
|
B:K25301
|
3.0
|
21.2
|
0.3
|
|
C7
|
B:K25301
|
3.1
|
20.6
|
0.3
|
|
C16
|
B:K25301
|
3.2
|
18.9
|
0.3
|
|
CZ
|
B:PHE126
|
3.4
|
21.5
|
1.0
|
|
C7
|
A:FAD302
|
3.4
|
17.8
|
1.0
|
|
C8
|
A:FAD302
|
3.4
|
18.2
|
1.0
|
|
C4
|
B:K25301
|
3.4
|
19.4
|
0.3
|
|
N6
|
B:K25301
|
3.5
|
22.8
|
0.3
|
|
C6
|
A:FAD302
|
3.7
|
16.7
|
1.0
|
|
C9
|
A:FAD302
|
3.7
|
19.4
|
1.0
|
|
CE1
|
B:PHE126
|
3.8
|
17.4
|
1.0
|
|
BR10
|
B:K25301
|
3.9
|
28.6
|
0.3
|
|
C7M
|
A:FAD302
|
3.9
|
18.7
|
1.0
|
|
C5X
|
A:FAD302
|
3.9
|
15.0
|
1.0
|
|
C9A
|
A:FAD302
|
4.0
|
15.9
|
1.0
|
|
C8M
|
A:FAD302
|
4.0
|
16.8
|
1.0
|
|
C2
|
B:K25301
|
4.1
|
19.7
|
0.3
|
|
C7
|
B:K25301
|
4.2
|
22.6
|
0.3
|
|
C5
|
B:K25301
|
4.4
|
22.5
|
0.3
|
|
H
|
B:GLN122
|
4.5
|
21.3
|
1.0
|
|
CE2
|
B:PHE126
|
4.5
|
19.8
|
1.0
|
|
C3
|
B:K25301
|
4.6
|
20.0
|
0.3
|
|
C5
|
B:K25301
|
4.7
|
21.4
|
0.3
|
|
O
|
B:HOH536
|
4.7
|
21.3
|
1.0
|
|
C13
|
B:K25301
|
4.8
|
18.4
|
0.3
|
|
N5
|
A:FAD302
|
4.8
|
13.3
|
1.0
|
|
O
|
B:LEU120
|
4.9
|
12.4
|
1.0
|
|
N10
|
A:FAD302
|
4.9
|
17.6
|
1.0
|
|
N
|
B:GLN122
|
4.9
|
17.8
|
1.0
|
|
CZ2
|
A:TRP105
|
4.9
|
17.9
|
1.0
|
|
Bromine binding site 7 out
of 16 in 4u7f
Go back to
Bromine Binding Sites List in 4u7f
Bromine binding site 7 out
of 16 in the Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 7 of Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br301
b:27.0
occ:0.27
|
BR11
|
B:K25301
|
0.0
|
27.0
|
0.3
|
|
N14
|
B:K25301
|
0.8
|
23.5
|
0.3
|
|
C5
|
B:K25301
|
1.9
|
22.5
|
0.3
|
|
C7
|
B:K25301
|
1.9
|
22.6
|
0.3
|
|
C13
|
B:K25301
|
2.0
|
18.4
|
0.3
|
|
N15
|
B:K25301
|
2.6
|
25.4
|
0.3
|
|
C16
|
B:K25301
|
2.7
|
29.7
|
0.3
|
|
C2
|
B:K25301
|
2.8
|
21.9
|
0.3
|
|
C5
|
B:K25301
|
2.8
|
21.4
|
0.3
|
|
C7
|
B:K25301
|
3.0
|
20.6
|
0.3
|
|
C8
|
B:K25301
|
3.0
|
20.6
|
0.3
|
|
N6
|
B:K25301
|
3.0
|
22.8
|
0.3
|
|
BR11
|
B:K25301
|
3.2
|
35.3
|
0.3
|
|
BR1
|
B:K25301
|
3.3
|
32.3
|
0.3
|
|
N14
|
B:K25301
|
3.6
|
22.0
|
0.3
|
|
C1'
|
A:FAD302
|
3.9
|
19.5
|
1.0
|
|
C17
|
B:K25301
|
4.0
|
23.1
|
0.3
|
|
OE1
|
A:GLU193
|
4.0
|
25.4
|
1.0
|
|
C3
|
B:K25301
|
4.1
|
20.0
|
0.3
|
|
C2
|
B:K25301
|
4.1
|
19.7
|
0.3
|
|
O3'
|
A:FAD302
|
4.2
|
20.6
|
1.0
|
|
C8
|
B:K25301
|
4.2
|
20.9
|
0.3
|
|
CA
|
A:GLY149
|
4.2
|
25.2
|
1.0
|
|
C4
|
B:K25301
|
4.3
|
20.8
|
0.3
|
|
C4
|
B:K25301
|
4.7
|
19.4
|
0.3
|
|
C3
|
B:K25301
|
4.7
|
19.9
|
0.3
|
|
C3'
|
A:FAD302
|
4.8
|
20.1
|
1.0
|
|
C13
|
B:K25301
|
4.8
|
20.8
|
0.3
|
|
N10
|
A:FAD302
|
4.9
|
17.6
|
1.0
|
|
C
|
A:GLY149
|
5.0
|
24.7
|
1.0
|
|
CD
|
A:GLU193
|
5.0
|
41.7
|
1.0
|
|
Bromine binding site 8 out
of 16 in 4u7f
Go back to
Bromine Binding Sites List in 4u7f
Bromine binding site 8 out
of 16 in the Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 8 of Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br301
b:35.3
occ:0.33
|
BR11
|
B:K25301
|
0.0
|
35.3
|
0.3
|
|
BR1
|
B:K25301
|
0.5
|
32.3
|
0.3
|
|
C2
|
B:K25301
|
1.5
|
21.9
|
0.3
|
|
C5
|
B:K25301
|
1.9
|
21.4
|
0.3
|
|
C3
|
B:K25301
|
2.4
|
20.0
|
0.3
|
|
C5
|
B:K25301
|
2.6
|
22.5
|
0.3
|
|
BR9
|
B:K25301
|
2.7
|
25.3
|
0.3
|
|
C2
|
B:K25301
|
2.8
|
19.7
|
0.3
|
|
C7
|
B:K25301
|
2.9
|
22.6
|
0.3
|
|
BR11
|
B:K25301
|
3.2
|
27.0
|
0.3
|
|
BR1
|
B:K25301
|
3.3
|
20.4
|
0.3
|
|
N14
|
B:K25301
|
3.4
|
23.5
|
0.3
|
|
C4
|
B:K25301
|
3.7
|
19.4
|
0.3
|
|
CA
|
A:GLY149
|
3.8
|
25.2
|
1.0
|
|
C
|
A:GLY149
|
3.8
|
24.7
|
1.0
|
|
C7
|
B:K25301
|
3.9
|
20.6
|
0.3
|
|
O
|
A:HOH458
|
4.0
|
22.8
|
1.0
|
|
N1
|
A:FAD302
|
4.0
|
15.8
|
1.0
|
|
N
|
A:GLY150
|
4.1
|
20.4
|
1.0
|
|
O
|
A:GLY149
|
4.1
|
23.8
|
1.0
|
|
C3
|
B:K25301
|
4.1
|
19.9
|
0.3
|
|
C8
|
B:K25301
|
4.2
|
20.6
|
0.3
|
|
H
|
A:GLY150
|
4.2
|
24.5
|
1.0
|
|
C8
|
B:K25301
|
4.3
|
20.9
|
0.3
|
|
O
|
A:HOH490
|
4.3
|
25.3
|
1.0
|
|
C2
|
A:FAD302
|
4.4
|
16.1
|
1.0
|
|
O2
|
A:FAD302
|
4.5
|
19.8
|
1.0
|
|
C10
|
A:FAD302
|
4.5
|
15.7
|
1.0
|
|
H
|
A:GLY149
|
4.6
|
21.1
|
1.0
|
|
C1'
|
A:FAD302
|
4.6
|
19.5
|
1.0
|
|
C4
|
B:K25301
|
4.7
|
20.8
|
0.3
|
|
C13
|
B:K25301
|
4.7
|
18.4
|
0.3
|
|
N
|
A:GLY149
|
4.7
|
17.6
|
1.0
|
|
CA
|
A:GLY150
|
4.8
|
22.9
|
1.0
|
|
N10
|
A:FAD302
|
4.8
|
17.6
|
1.0
|
|
Bromine binding site 9 out
of 16 in 4u7f
Go back to
Bromine Binding Sites List in 4u7f
Bromine binding site 9 out
of 16 in the Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 9 of Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br304
b:40.4
occ:0.22
|
BR1
|
B:K25304
|
0.0
|
40.4
|
0.2
|
|
BR11
|
B:K25304
|
0.8
|
34.4
|
0.3
|
|
C2
|
B:K25304
|
1.9
|
26.3
|
0.2
|
|
C5
|
B:K25304
|
2.0
|
26.2
|
0.3
|
|
C7
|
B:K25304
|
2.7
|
25.9
|
0.3
|
|
C3
|
B:K25304
|
2.8
|
23.9
|
0.2
|
|
N14
|
B:K25304
|
2.9
|
29.0
|
0.3
|
|
C5
|
B:K25304
|
2.9
|
25.9
|
0.2
|
|
BR9
|
B:K25304
|
3.2
|
40.6
|
0.2
|
|
C2
|
B:K25304
|
3.2
|
24.6
|
0.3
|
|
BR11
|
B:K25304
|
3.3
|
32.5
|
0.2
|
|
C
|
B:GLY149
|
3.3
|
23.9
|
1.0
|
|
CA
|
B:GLY149
|
3.4
|
26.1
|
1.0
|
|
O
|
B:GLY149
|
3.6
|
26.9
|
1.0
|
|
N
|
B:GLY150
|
3.8
|
19.9
|
1.0
|
|
BR1
|
B:K25304
|
3.9
|
27.0
|
0.3
|
|
H
|
B:GLY150
|
4.0
|
23.9
|
1.0
|
|
C8
|
B:K25304
|
4.0
|
26.6
|
0.3
|
|
C4
|
B:K25304
|
4.1
|
25.1
|
0.2
|
|
C7
|
B:K25304
|
4.2
|
26.5
|
0.2
|
|
C13
|
B:K25304
|
4.2
|
28.6
|
0.3
|
|
O
|
B:HOH473
|
4.2
|
26.4
|
1.0
|
|
N1
|
B:FAD303
|
4.3
|
16.9
|
1.0
|
|
H
|
B:GLY149
|
4.4
|
23.8
|
1.0
|
|
C3
|
B:K25304
|
4.4
|
24.7
|
0.3
|
|
N
|
B:GLY149
|
4.5
|
19.8
|
1.0
|
|
CA
|
B:GLY150
|
4.5
|
24.1
|
1.0
|
|
C2
|
B:FAD303
|
4.6
|
19.1
|
1.0
|
|
O2
|
B:FAD303
|
4.6
|
19.2
|
1.0
|
|
C8
|
B:K25304
|
4.7
|
24.7
|
0.2
|
|
C4
|
B:K25304
|
4.8
|
25.2
|
0.3
|
|
C1'
|
B:FAD303
|
4.8
|
19.3
|
1.0
|
|
N6
|
B:K25304
|
4.8
|
26.4
|
0.3
|
|
C10
|
B:FAD303
|
4.9
|
22.9
|
1.0
|
|
Bromine binding site 10 out
of 16 in 4u7f
Go back to
Bromine Binding Sites List in 4u7f
Bromine binding site 10 out
of 16 in the Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 10 of Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br304
b:27.0
occ:0.28
|
BR1
|
B:K25304
|
0.0
|
27.0
|
0.3
|
|
BR9
|
B:K25304
|
1.0
|
40.6
|
0.2
|
|
C3
|
B:K25304
|
1.8
|
23.9
|
0.2
|
|
C2
|
B:K25304
|
1.9
|
24.6
|
0.3
|
|
C4
|
B:K25304
|
2.2
|
25.1
|
0.2
|
|
BR10
|
B:K25304
|
2.3
|
35.3
|
0.2
|
|
C3
|
B:K25304
|
2.8
|
24.7
|
0.3
|
|
C5
|
B:K25304
|
2.9
|
26.2
|
0.3
|
|
C2
|
B:K25304
|
3.0
|
26.3
|
0.2
|
|
CZ
|
A:PHE178
|
3.1
|
24.5
|
1.0
|
|
BR11
|
B:K25304
|
3.2
|
34.4
|
0.3
|
|
O
|
B:HOH451
|
3.2
|
22.4
|
1.0
|
|
BR9
|
B:K25304
|
3.3
|
29.9
|
0.3
|
|
O
|
A:HOH453
|
3.4
|
24.1
|
1.0
|
|
CE1
|
A:PHE178
|
3.6
|
27.3
|
1.0
|
|
C8
|
B:K25304
|
3.6
|
24.7
|
0.2
|
|
CE2
|
A:PHE178
|
3.8
|
29.2
|
1.0
|
|
C4
|
B:FAD303
|
3.8
|
15.5
|
1.0
|
|
N3
|
B:FAD303
|
3.8
|
15.6
|
1.0
|
|
O
|
B:HOH473
|
3.8
|
26.4
|
1.0
|
|
BR1
|
B:K25304
|
3.9
|
40.4
|
0.2
|
|
C4X
|
B:FAD303
|
3.9
|
16.2
|
1.0
|
|
C2
|
B:FAD303
|
4.0
|
19.1
|
1.0
|
|
C4
|
B:K25304
|
4.1
|
25.2
|
0.3
|
|
C10
|
B:FAD303
|
4.1
|
22.9
|
1.0
|
|
C7
|
B:K25304
|
4.2
|
25.9
|
0.3
|
|
N1
|
B:FAD303
|
4.2
|
16.9
|
1.0
|
|
C5
|
B:K25304
|
4.2
|
25.9
|
0.2
|
|
O4
|
B:FAD303
|
4.2
|
21.6
|
1.0
|
|
C7
|
B:K25304
|
4.4
|
26.5
|
0.2
|
|
CD1
|
A:PHE178
|
4.5
|
29.7
|
1.0
|
|
N5
|
B:FAD303
|
4.6
|
18.9
|
1.0
|
|
CD2
|
A:PHE178
|
4.6
|
19.5
|
1.0
|
|
O2
|
B:FAD303
|
4.6
|
19.2
|
1.0
|
|
C8
|
B:K25304
|
4.6
|
26.6
|
0.3
|
|
N6
|
B:K25304
|
4.7
|
26.6
|
0.2
|
|
N10
|
B:FAD303
|
4.9
|
21.9
|
1.0
|
|
CG
|
A:PHE178
|
4.9
|
20.1
|
1.0
|
|
Reference:
K.K.Leung,
B.H.Shilton.
Quinone Reductase 2 Is An Adventitious Target of Protein Kinase CK2 Inhibitors Tbbz (Tbi) and Dmat Biochemistry 2015.
ISSN: ISSN 0006-2960
PubMed: 25379648
Page generated: Wed Jul 10 22:40:38 2024
|
