Bromine in PDB 6tll: Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt)
Enzymatic activity of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt)
All present enzymatic activity of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt):
2.7.11.1;
Protein crystallography data
The structure of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt), PDB code: 6tll
was solved by
H.Czapinska,
A.Piasecka,
M.Winiewska-Szajewska,
M.Bochtler,
J.Poznanski,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
45.05 /
1.88
|
|
Space group
|
P 42 21 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
127.431,
127.431,
61.031,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
16 /
18.7
|
Other elements in 6tll:
The structure of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt) also contains other interesting chemical elements:
Bromine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Binding sites:
The binding sites of Bromine atom in the Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt)
(pdb code 6tll). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 20 binding sites of Bromine where determined in the
Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt), PDB code: 6tll:
Jump to Bromine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Bromine binding site 1 out
of 20 in 6tll
Go back to
Bromine Binding Sites List in 6tll
Bromine binding site 1 out
of 20 in the Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt)
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 1 of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br401
b:60.8
occ:0.30
|
BR10
|
A:TBS401
|
0.0
|
60.8
|
0.3
|
|
N8
|
A:TBS401
|
1.6
|
82.6
|
0.3
|
|
C7
|
A:TBS401
|
1.8
|
82.7
|
0.3
|
|
C4
|
A:TBS401
|
1.9
|
60.3
|
0.3
|
|
BR13
|
A:TBS401
|
1.9
|
92.5
|
0.3
|
|
C3
|
A:TBS401
|
2.0
|
84.8
|
0.3
|
|
O
|
A:HOH702
|
2.1
|
59.3
|
0.4
|
|
O
|
A:HOH851
|
2.4
|
70.9
|
0.4
|
|
N9
|
A:TBS401
|
2.4
|
53.9
|
0.2
|
|
N5
|
A:TBS401
|
2.8
|
54.6
|
0.2
|
|
C6
|
A:TBS401
|
2.8
|
58.2
|
0.3
|
|
N9
|
A:TBS401
|
2.9
|
81.3
|
0.3
|
|
N8
|
A:TBS401
|
2.9
|
57.8
|
0.2
|
|
C1
|
A:TBS401
|
2.9
|
61.1
|
0.3
|
|
C6
|
A:TBS401
|
3.2
|
80.2
|
0.3
|
|
N5
|
A:TBS401
|
3.3
|
57.3
|
0.3
|
|
BR11
|
A:TBS401
|
3.4
|
70.5
|
0.3
|
|
C2
|
A:TBS401
|
3.4
|
83.6
|
0.3
|
|
BR13
|
A:TBS401
|
3.5
|
57.7
|
0.2
|
|
NE2
|
A:HIS160
|
3.6
|
47.9
|
0.5
|
|
N5
|
A:TBS401
|
3.6
|
80.9
|
0.3
|
|
N8
|
A:TBS401
|
3.7
|
53.9
|
0.2
|
|
CG2
|
A:VAL53
|
3.8
|
50.5
|
1.0
|
|
N9
|
A:TBS401
|
3.8
|
59.0
|
0.2
|
|
C7
|
A:TBS401
|
3.8
|
57.1
|
0.2
|
|
CE1
|
A:HIS160
|
4.1
|
48.4
|
0.5
|
|
C7
|
A:TBS401
|
4.2
|
57.4
|
0.3
|
|
C6
|
A:TBS401
|
4.2
|
55.2
|
0.2
|
|
C2
|
A:TBS401
|
4.2
|
59.5
|
0.3
|
|
C3
|
A:TBS401
|
4.2
|
55.9
|
0.2
|
|
C4
|
A:TBS401
|
4.2
|
79.5
|
0.3
|
|
C1
|
A:TBS401
|
4.3
|
80.7
|
0.3
|
|
CB
|
A:VAL53
|
4.3
|
49.7
|
1.0
|
|
O
|
A:HOH662
|
4.3
|
68.2
|
1.0
|
|
O
|
A:HOH669
|
4.5
|
53.3
|
0.5
|
|
C7
|
A:TBS401
|
4.5
|
53.9
|
0.2
|
|
N9
|
A:TBS401
|
4.6
|
56.6
|
0.3
|
|
O
|
A:ARG47
|
4.6
|
78.2
|
0.5
|
|
BR12
|
A:TBS401
|
4.7
|
88.0
|
0.3
|
|
CA
|
A:GLY46
|
4.7
|
66.9
|
1.0
|
|
C3
|
A:TBS401
|
4.7
|
57.4
|
0.3
|
|
CD2
|
A:HIS160
|
4.7
|
47.2
|
0.5
|
|
CG1
|
A:VAL53
|
4.8
|
49.4
|
1.0
|
|
C
|
A:GLY46
|
4.9
|
70.2
|
1.0
|
|
N
|
A:ARG47
|
5.0
|
73.7
|
0.5
|
|
N5
|
A:TBS401
|
5.0
|
58.4
|
0.2
|
|
N
|
A:ARG47
|
5.0
|
73.7
|
0.5
|
|
Bromine binding site 2 out
of 20 in 6tll
Go back to
Bromine Binding Sites List in 6tll
Bromine binding site 2 out
of 20 in the Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt)
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 2 of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br401
b:59.0
occ:0.20
|
BR10
|
A:TBS401
|
0.0
|
59.0
|
0.2
|
|
N5
|
A:TBS401
|
0.8
|
58.4
|
0.2
|
|
C6
|
A:TBS401
|
1.8
|
57.3
|
0.2
|
|
C4
|
A:TBS401
|
1.9
|
55.9
|
0.2
|
|
N9
|
A:TBS401
|
2.0
|
59.0
|
0.2
|
|
OD1
|
A:ASN118
|
2.2
|
66.4
|
0.6
|
|
BR12
|
A:TBS401
|
2.3
|
57.8
|
0.3
|
|
BR11
|
A:TBS401
|
2.4
|
70.5
|
0.3
|
|
BR12
|
A:TBS401
|
2.5
|
88.0
|
0.3
|
|
C4
|
A:TBS401
|
2.7
|
56.4
|
0.2
|
|
CA
|
A:ASN118
|
2.8
|
63.2
|
0.6
|
|
C6
|
A:TBS401
|
2.9
|
55.2
|
0.2
|
|
C1
|
A:TBS401
|
2.9
|
55.2
|
0.2
|
|
C7
|
A:TBS401
|
2.9
|
57.1
|
0.2
|
|
N8
|
A:TBS401
|
2.9
|
57.8
|
0.2
|
|
CG
|
A:ASN118
|
3.0
|
66.3
|
0.6
|
|
BR10
|
A:TBS401
|
3.0
|
57.5
|
0.2
|
|
CB
|
A:ASN118
|
3.1
|
65.9
|
0.6
|
|
BR11
|
A:TBS401
|
3.3
|
56.2
|
0.2
|
|
N5
|
A:TBS401
|
3.3
|
54.6
|
0.2
|
|
C2
|
A:TBS401
|
3.4
|
59.5
|
0.3
|
|
C1
|
A:TBS401
|
3.4
|
61.1
|
0.3
|
|
C
|
A:ASN118
|
3.5
|
62.2
|
0.6
|
|
O
|
A:ASN118
|
3.6
|
61.0
|
0.6
|
|
N
|
A:ASN118
|
3.8
|
63.8
|
0.6
|
|
SD
|
A:MET163
|
3.8
|
60.2
|
1.0
|
|
BR13
|
A:TBS401
|
3.9
|
92.5
|
0.3
|
|
CE
|
A:MET163
|
3.9
|
60.3
|
1.0
|
|
C1
|
A:TBS401
|
4.0
|
55.3
|
0.2
|
|
C2
|
A:TBS401
|
4.1
|
83.6
|
0.3
|
|
C3
|
A:TBS401
|
4.1
|
55.9
|
0.2
|
|
C7
|
A:TBS401
|
4.1
|
53.9
|
0.2
|
|
C2
|
A:TBS401
|
4.2
|
54.0
|
0.2
|
|
CD1
|
A:LEU45
|
4.2
|
54.5
|
1.0
|
|
ND2
|
A:ASN118
|
4.2
|
67.6
|
0.6
|
|
O
|
A:ASN117
|
4.3
|
60.8
|
0.6
|
|
C
|
A:ASN117
|
4.4
|
62.0
|
0.6
|
|
CB
|
A:LEU45
|
4.4
|
55.8
|
1.0
|
|
CB
|
A:ASN118
|
4.5
|
60.2
|
0.4
|
|
C3
|
A:TBS401
|
4.5
|
84.8
|
0.3
|
|
C2
|
A:TBS401
|
4.6
|
55.2
|
0.2
|
|
N9
|
A:TBS401
|
4.6
|
53.9
|
0.2
|
|
N
|
A:THR119
|
4.7
|
61.2
|
0.6
|
|
C3
|
A:TBS401
|
4.7
|
53.9
|
0.2
|
|
C3
|
A:TBS401
|
4.7
|
57.4
|
0.3
|
|
ND2
|
A:ASN118
|
4.8
|
61.0
|
0.4
|
|
C4
|
A:TBS401
|
4.8
|
60.3
|
0.3
|
|
CG
|
A:LEU45
|
4.8
|
56.4
|
1.0
|
|
CG
|
A:MET163
|
4.8
|
52.6
|
1.0
|
|
O
|
A:VAL116
|
4.9
|
55.6
|
0.6
|
|
Bromine binding site 3 out
of 20 in 6tll
Go back to
Bromine Binding Sites List in 6tll
Bromine binding site 3 out
of 20 in the Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt)
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 3 of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br401
b:74.1
occ:0.30
|
BR10
|
A:TBS401
|
0.0
|
74.1
|
0.3
|
|
N8
|
A:TBS401
|
1.2
|
57.6
|
0.3
|
|
O
|
A:HOH786
|
1.2
|
16.4
|
0.4
|
|
N9
|
A:TBS401
|
1.6
|
56.6
|
0.3
|
|
C4
|
A:TBS401
|
1.9
|
79.5
|
0.3
|
|
C7
|
A:TBS401
|
2.5
|
57.4
|
0.3
|
|
C6
|
A:TBS401
|
2.9
|
80.2
|
0.3
|
|
BR13
|
A:TBS401
|
2.9
|
57.7
|
0.2
|
|
N5
|
A:TBS401
|
2.9
|
57.3
|
0.3
|
|
C1
|
A:TBS401
|
2.9
|
80.7
|
0.3
|
|
BR12
|
A:TBS401
|
3.1
|
53.4
|
0.2
|
|
C6
|
A:TBS401
|
3.3
|
58.2
|
0.3
|
|
BR13
|
A:TBS401
|
3.3
|
53.7
|
0.2
|
|
N5
|
A:TBS401
|
3.3
|
80.9
|
0.3
|
|
N8
|
A:TBS401
|
3.3
|
53.9
|
0.2
|
|
BR11
|
A:TBS401
|
3.4
|
79.2
|
0.3
|
|
N
|
A:ASP175
|
3.4
|
33.5
|
1.0
|
|
C3
|
A:TBS401
|
3.5
|
57.4
|
0.3
|
|
NZ
|
A:LYS68
|
3.7
|
51.6
|
1.0
|
|
CA
|
A:ASP175
|
3.7
|
35.7
|
1.0
|
|
O
|
A:HOH545
|
3.7
|
36.1
|
1.0
|
|
CD
|
A:LYS68
|
3.8
|
50.8
|
1.0
|
|
BR13
|
A:TBS401
|
3.9
|
55.0
|
0.3
|
|
CE2
|
A:PHE113
|
4.0
|
35.4
|
1.0
|
|
C3
|
A:TBS401
|
4.1
|
55.9
|
0.2
|
|
CZ
|
A:PHE113
|
4.1
|
34.9
|
1.0
|
|
CE
|
A:LYS68
|
4.1
|
52.7
|
1.0
|
|
C7
|
A:TBS401
|
4.1
|
53.9
|
0.2
|
|
C2
|
A:TBS401
|
4.1
|
55.2
|
0.2
|
|
C7
|
A:TBS401
|
4.2
|
82.7
|
0.3
|
|
CB
|
A:ILE174
|
4.2
|
35.1
|
1.0
|
|
CB
|
A:ASP175
|
4.2
|
38.5
|
1.0
|
|
C2
|
A:TBS401
|
4.2
|
83.6
|
0.3
|
|
C3
|
A:TBS401
|
4.3
|
53.9
|
0.2
|
|
N9
|
A:TBS401
|
4.3
|
53.9
|
0.2
|
|
CD1
|
A:ILE174
|
4.4
|
36.9
|
1.0
|
|
C
|
A:ILE174
|
4.5
|
32.6
|
1.0
|
|
N9
|
A:TBS401
|
4.6
|
81.3
|
0.3
|
|
C4
|
A:TBS401
|
4.6
|
60.3
|
0.3
|
|
CD2
|
A:PHE113
|
4.6
|
35.2
|
1.0
|
|
CG
|
A:ASP175
|
4.7
|
42.4
|
1.0
|
|
C3
|
A:TBS401
|
4.7
|
84.8
|
0.3
|
|
CE1
|
A:PHE113
|
4.7
|
34.1
|
1.0
|
|
CA
|
A:ILE174
|
4.7
|
33.1
|
1.0
|
|
CG1
|
A:ILE174
|
4.8
|
35.2
|
1.0
|
|
OD1
|
A:ASP175
|
4.8
|
43.8
|
1.0
|
|
C2
|
A:TBS401
|
4.8
|
59.5
|
0.3
|
|
CG
|
A:LYS68
|
4.9
|
49.5
|
1.0
|
|
C
|
A:ASP175
|
5.0
|
33.8
|
1.0
|
|
Bromine binding site 4 out
of 20 in 6tll
Go back to
Bromine Binding Sites List in 6tll
Bromine binding site 4 out
of 20 in the Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt)
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 4 of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br401
b:57.5
occ:0.20
|
BR10
|
A:TBS401
|
0.0
|
57.5
|
0.2
|
|
BR11
|
A:TBS401
|
0.5
|
56.2
|
0.2
|
|
C1
|
A:TBS401
|
1.7
|
55.2
|
0.2
|
|
C4
|
A:TBS401
|
1.9
|
56.4
|
0.2
|
|
O
|
A:VAL116
|
2.3
|
55.6
|
0.6
|
|
BR12
|
A:TBS401
|
2.3
|
57.8
|
0.3
|
|
C4
|
A:TBS401
|
2.6
|
55.9
|
0.2
|
|
C2
|
A:TBS401
|
2.8
|
54.0
|
0.2
|
|
C1
|
A:TBS401
|
2.8
|
55.3
|
0.2
|
|
C6
|
A:TBS401
|
2.9
|
57.3
|
0.2
|
|
O
|
A:ASN117
|
2.9
|
60.8
|
0.6
|
|
BR10
|
A:TBS401
|
3.0
|
59.0
|
0.2
|
|
O
|
A:VAL116
|
3.0
|
54.6
|
0.4
|
|
CG2
|
A:VAL116
|
3.0
|
54.1
|
0.6
|
|
C
|
A:VAL116
|
3.1
|
57.3
|
0.6
|
|
C
|
A:ASN117
|
3.2
|
62.0
|
0.6
|
|
BR11
|
A:TBS401
|
3.3
|
53.5
|
0.2
|
|
N5
|
A:TBS401
|
3.3
|
58.4
|
0.2
|
|
BR12
|
A:TBS401
|
3.4
|
88.0
|
0.3
|
|
BR12
|
A:TBS401
|
3.4
|
52.3
|
0.2
|
|
N
|
A:ASN118
|
3.4
|
63.8
|
0.6
|
|
CA
|
A:ASN118
|
3.6
|
63.2
|
0.6
|
|
N
|
A:ASN117
|
3.8
|
59.8
|
0.6
|
|
C6
|
A:TBS401
|
3.9
|
55.2
|
0.2
|
|
CA
|
A:VAL116
|
3.9
|
55.2
|
0.6
|
|
CB
|
A:VAL116
|
3.9
|
55.0
|
0.6
|
|
C
|
A:VAL116
|
4.0
|
54.8
|
0.4
|
|
N
|
A:VAL116
|
4.0
|
50.6
|
0.4
|
|
C3
|
A:TBS401
|
4.0
|
53.9
|
0.2
|
|
CA
|
A:ASN117
|
4.1
|
63.0
|
0.6
|
|
CB
|
A:VAL116
|
4.1
|
52.6
|
0.4
|
|
C2
|
A:TBS401
|
4.1
|
55.2
|
0.2
|
|
C2
|
A:TBS401
|
4.1
|
59.5
|
0.3
|
|
C7
|
A:TBS401
|
4.2
|
57.1
|
0.2
|
|
N
|
A:VAL116
|
4.2
|
52.4
|
0.6
|
|
CG
|
A:MET163
|
4.2
|
52.6
|
1.0
|
|
CA
|
A:VAL116
|
4.2
|
53.0
|
0.4
|
|
SD
|
A:MET163
|
4.2
|
60.2
|
1.0
|
|
CG2
|
A:VAL66
|
4.3
|
41.5
|
1.0
|
|
CB
|
A:ASN118
|
4.4
|
60.2
|
0.4
|
|
C7
|
A:TBS401
|
4.5
|
53.9
|
0.2
|
|
CB
|
A:ASN118
|
4.5
|
65.9
|
0.6
|
|
BR13
|
A:TBS401
|
4.6
|
55.0
|
0.3
|
|
N9
|
A:TBS401
|
4.6
|
59.0
|
0.2
|
|
C3
|
A:TBS401
|
4.7
|
55.9
|
0.2
|
|
C
|
A:ASN118
|
4.7
|
62.2
|
0.6
|
|
N
|
A:ASN118
|
4.8
|
61.3
|
0.4
|
|
CB
|
A:MET163
|
4.8
|
50.2
|
1.0
|
|
CD1
|
A:LEU45
|
4.8
|
54.5
|
1.0
|
|
NE2
|
A:HIS115
|
4.9
|
51.9
|
0.4
|
|
CD2
|
A:HIS115
|
4.9
|
51.1
|
0.4
|
|
C3
|
A:TBS401
|
4.9
|
57.4
|
0.3
|
|
OD1
|
A:ASN118
|
5.0
|
66.4
|
0.6
|
|
CG1
|
A:VAL116
|
5.0
|
53.2
|
0.4
|
|
BR11
|
A:TBS401
|
5.0
|
79.2
|
0.3
|
|
CG2
|
A:VAL116
|
5.0
|
52.0
|
0.4
|
|
Bromine binding site 5 out
of 20 in 6tll
Go back to
Bromine Binding Sites List in 6tll
Bromine binding site 5 out
of 20 in the Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt)
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 5 of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br401
b:70.5
occ:0.30
|
BR11
|
A:TBS401
|
0.0
|
70.5
|
0.3
|
|
N9
|
A:TBS401
|
0.8
|
59.0
|
0.2
|
|
N8
|
A:TBS401
|
1.2
|
57.8
|
0.2
|
|
BR13
|
A:TBS401
|
1.5
|
92.5
|
0.3
|
|
N5
|
A:TBS401
|
1.7
|
54.6
|
0.2
|
|
N5
|
A:TBS401
|
1.9
|
58.4
|
0.2
|
|
C1
|
A:TBS401
|
1.9
|
61.1
|
0.3
|
|
C7
|
A:TBS401
|
2.2
|
57.1
|
0.2
|
|
C6
|
A:TBS401
|
2.4
|
55.2
|
0.2
|
|
BR10
|
A:TBS401
|
2.4
|
59.0
|
0.2
|
|
C6
|
A:TBS401
|
2.5
|
57.3
|
0.2
|
|
BR12
|
A:TBS401
|
2.5
|
88.0
|
0.3
|
|
C3
|
A:TBS401
|
2.7
|
84.8
|
0.3
|
|
C4
|
A:TBS401
|
2.8
|
55.9
|
0.2
|
|
C2
|
A:TBS401
|
2.9
|
59.5
|
0.3
|
|
C4
|
A:TBS401
|
2.9
|
60.3
|
0.3
|
|
OD1
|
A:ASN118
|
2.9
|
66.4
|
0.6
|
|
N9
|
A:TBS401
|
3.0
|
53.9
|
0.2
|
|
C2
|
A:TBS401
|
3.0
|
83.6
|
0.3
|
|
BR12
|
A:TBS401
|
3.3
|
57.8
|
0.3
|
|
BR10
|
A:TBS401
|
3.4
|
60.8
|
0.3
|
|
C3
|
A:TBS401
|
3.5
|
55.9
|
0.2
|
|
C7
|
A:TBS401
|
3.7
|
53.9
|
0.2
|
|
C4
|
A:TBS401
|
3.8
|
56.4
|
0.2
|
|
N8
|
A:TBS401
|
3.9
|
53.9
|
0.2
|
|
C7
|
A:TBS401
|
4.0
|
82.7
|
0.3
|
|
CE
|
A:MET163
|
4.0
|
60.3
|
1.0
|
|
CG
|
A:ASN118
|
4.1
|
66.3
|
0.6
|
|
CG1
|
A:VAL53
|
4.1
|
49.4
|
1.0
|
|
C1
|
A:TBS401
|
4.1
|
55.2
|
0.2
|
|
C3
|
A:TBS401
|
4.2
|
57.4
|
0.3
|
|
C6
|
A:TBS401
|
4.2
|
58.2
|
0.3
|
|
O
|
A:HOH702
|
4.2
|
59.3
|
0.4
|
|
CB
|
A:LEU45
|
4.2
|
55.8
|
1.0
|
|
BR13
|
A:TBS401
|
4.4
|
57.7
|
0.2
|
|
C1
|
A:TBS401
|
4.4
|
80.7
|
0.3
|
|
C
|
A:LEU45
|
4.5
|
60.6
|
1.0
|
|
O
|
A:LEU45
|
4.5
|
62.3
|
1.0
|
|
C2
|
A:TBS401
|
4.5
|
55.2
|
0.2
|
|
CA
|
A:GLY46
|
4.5
|
66.9
|
1.0
|
|
N
|
A:GLY46
|
4.5
|
63.7
|
1.0
|
|
CB
|
A:VAL53
|
4.6
|
49.7
|
1.0
|
|
N8
|
A:TBS401
|
4.7
|
82.6
|
0.3
|
|
C7
|
A:TBS401
|
4.7
|
57.4
|
0.3
|
|
C1
|
A:TBS401
|
4.7
|
55.3
|
0.2
|
|
C3
|
A:TBS401
|
4.8
|
53.9
|
0.2
|
|
SD
|
A:MET163
|
4.9
|
60.2
|
1.0
|
|
O
|
A:HOH669
|
4.9
|
53.3
|
0.5
|
|
O
|
A:ASN118
|
4.9
|
61.0
|
0.6
|
|
ND2
|
A:ASN118
|
5.0
|
67.6
|
0.6
|
|
CA
|
A:ASN118
|
5.0
|
63.2
|
0.6
|
|
CB
|
A:ASN118
|
5.0
|
65.9
|
0.6
|
|
C2
|
A:TBS401
|
5.0
|
54.0
|
0.2
|
|
Bromine binding site 6 out
of 20 in 6tll
Go back to
Bromine Binding Sites List in 6tll
Bromine binding site 6 out
of 20 in the Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt)
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 6 of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br401
b:56.2
occ:0.20
|
BR11
|
A:TBS401
|
0.0
|
56.2
|
0.2
|
|
BR10
|
A:TBS401
|
0.5
|
57.5
|
0.2
|
|
C1
|
A:TBS401
|
1.9
|
55.2
|
0.2
|
|
O
|
A:VAL116
|
1.9
|
55.6
|
0.6
|
|
C4
|
A:TBS401
|
2.1
|
56.4
|
0.2
|
|
BR12
|
A:TBS401
|
2.5
|
57.8
|
0.3
|
|
O
|
A:VAL116
|
2.8
|
54.6
|
0.4
|
|
C
|
A:VAL116
|
2.8
|
57.3
|
0.6
|
|
C2
|
A:TBS401
|
2.8
|
54.0
|
0.2
|
|
C4
|
A:TBS401
|
2.9
|
55.9
|
0.2
|
|
C1
|
A:TBS401
|
3.0
|
55.3
|
0.2
|
|
CG2
|
A:VAL116
|
3.0
|
54.1
|
0.6
|
|
O
|
A:ASN117
|
3.1
|
60.8
|
0.6
|
|
C6
|
A:TBS401
|
3.2
|
57.3
|
0.2
|
|
BR11
|
A:TBS401
|
3.2
|
53.5
|
0.2
|
|
C
|
A:ASN117
|
3.2
|
62.0
|
0.6
|
|
BR12
|
A:TBS401
|
3.3
|
52.3
|
0.2
|
|
BR10
|
A:TBS401
|
3.3
|
59.0
|
0.2
|
|
N
|
A:ASN118
|
3.5
|
63.8
|
0.6
|
|
BR12
|
A:TBS401
|
3.6
|
88.0
|
0.3
|
|
CA
|
A:VAL116
|
3.6
|
55.2
|
0.6
|
|
N
|
A:VAL116
|
3.7
|
50.6
|
0.4
|
|
N
|
A:ASN117
|
3.7
|
59.8
|
0.6
|
|
N5
|
A:TBS401
|
3.7
|
58.4
|
0.2
|
|
C
|
A:VAL116
|
3.8
|
54.8
|
0.4
|
|
CB
|
A:VAL116
|
3.8
|
55.0
|
0.6
|
|
N
|
A:VAL116
|
3.8
|
52.4
|
0.6
|
|
CA
|
A:ASN118
|
3.8
|
63.2
|
0.6
|
|
CG2
|
A:VAL66
|
3.9
|
41.5
|
1.0
|
|
CA
|
A:ASN117
|
4.0
|
63.0
|
0.6
|
|
CA
|
A:VAL116
|
4.0
|
53.0
|
0.4
|
|
CB
|
A:VAL116
|
4.0
|
52.6
|
0.4
|
|
C3
|
A:TBS401
|
4.1
|
53.9
|
0.2
|
|
C6
|
A:TBS401
|
4.2
|
55.2
|
0.2
|
|
C2
|
A:TBS401
|
4.3
|
55.2
|
0.2
|
|
C2
|
A:TBS401
|
4.4
|
59.5
|
0.3
|
|
CD2
|
A:HIS115
|
4.4
|
51.1
|
0.4
|
|
C7
|
A:TBS401
|
4.4
|
57.1
|
0.2
|
|
NE2
|
A:HIS115
|
4.4
|
51.9
|
0.4
|
|
CG
|
A:MET163
|
4.6
|
52.6
|
1.0
|
|
CD1
|
A:LEU45
|
4.6
|
54.5
|
1.0
|
|
CB
|
A:ASN118
|
4.7
|
65.9
|
0.6
|
|
C7
|
A:TBS401
|
4.7
|
53.9
|
0.2
|
|
BR13
|
A:TBS401
|
4.7
|
55.0
|
0.3
|
|
SD
|
A:MET163
|
4.7
|
60.2
|
1.0
|
|
CB
|
A:ASN118
|
4.7
|
60.2
|
0.4
|
|
C
|
A:HIS115
|
4.8
|
48.7
|
0.4
|
|
N
|
A:ASN118
|
4.9
|
61.3
|
0.4
|
|
C3
|
A:TBS401
|
4.9
|
55.9
|
0.2
|
|
O
|
A:HOH583
|
4.9
|
89.7
|
1.0
|
|
CG2
|
A:VAL116
|
4.9
|
52.0
|
0.4
|
|
CG
|
A:HIS115
|
4.9
|
50.2
|
0.4
|
|
N
|
A:ASN117
|
5.0
|
58.1
|
0.4
|
|
N9
|
A:TBS401
|
5.0
|
59.0
|
0.2
|
|
CE1
|
A:HIS115
|
5.0
|
52.1
|
0.4
|
|
C
|
A:ASN118
|
5.0
|
62.2
|
0.6
|
|
CG1
|
A:VAL116
|
5.0
|
53.2
|
0.4
|
|
Bromine binding site 7 out
of 20 in 6tll
Go back to
Bromine Binding Sites List in 6tll
Bromine binding site 7 out
of 20 in the Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt)
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 7 of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br401
b:79.2
occ:0.30
|
BR11
|
A:TBS401
|
0.0
|
79.2
|
0.3
|
|
BR13
|
A:TBS401
|
0.6
|
55.0
|
0.3
|
|
BR12
|
A:TBS401
|
0.8
|
53.4
|
0.2
|
|
BR13
|
A:TBS401
|
1.0
|
53.7
|
0.2
|
|
C3
|
A:TBS401
|
1.1
|
53.9
|
0.2
|
|
C2
|
A:TBS401
|
1.1
|
55.2
|
0.2
|
|
C3
|
A:TBS401
|
1.5
|
57.4
|
0.3
|
|
C7
|
A:TBS401
|
1.9
|
53.9
|
0.2
|
|
C1
|
A:TBS401
|
1.9
|
80.7
|
0.3
|
|
C3
|
A:TBS401
|
2.1
|
55.9
|
0.2
|
|
C1
|
A:TBS401
|
2.1
|
55.3
|
0.2
|
|
C2
|
A:TBS401
|
2.3
|
54.0
|
0.2
|
|
C7
|
A:TBS401
|
2.3
|
57.4
|
0.3
|
|
N8
|
A:TBS401
|
2.5
|
53.9
|
0.2
|
|
C2
|
A:TBS401
|
2.7
|
59.5
|
0.3
|
|
N8
|
A:TBS401
|
2.7
|
57.6
|
0.3
|
|
C2
|
A:TBS401
|
2.8
|
83.6
|
0.3
|
|
C4
|
A:TBS401
|
2.9
|
79.5
|
0.3
|
|
BR11
|
A:TBS401
|
2.9
|
53.5
|
0.2
|
|
BR13
|
A:TBS401
|
3.0
|
57.7
|
0.2
|
|
C6
|
A:TBS401
|
3.2
|
55.2
|
0.2
|
|
BR12
|
A:TBS401
|
3.2
|
52.3
|
0.2
|
|
BR12
|
A:TBS401
|
3.3
|
88.0
|
0.3
|
|
BR10
|
A:TBS401
|
3.4
|
74.1
|
0.3
|
|
C7
|
A:TBS401
|
3.4
|
57.1
|
0.2
|
|
C4
|
A:TBS401
|
3.4
|
56.4
|
0.2
|
|
C1
|
A:TBS401
|
3.4
|
55.2
|
0.2
|
|
BR12
|
A:TBS401
|
3.5
|
57.8
|
0.3
|
|
O
|
A:HOH786
|
3.5
|
16.4
|
0.4
|
|
C6
|
A:TBS401
|
3.6
|
58.2
|
0.3
|
|
N9
|
A:TBS401
|
3.8
|
53.9
|
0.2
|
|
C4
|
A:TBS401
|
3.8
|
55.9
|
0.2
|
|
C6
|
A:TBS401
|
3.8
|
57.3
|
0.2
|
|
C1
|
A:TBS401
|
3.9
|
61.1
|
0.3
|
|
N9
|
A:TBS401
|
4.0
|
56.6
|
0.3
|
|
CG2
|
A:ILE174
|
4.1
|
36.1
|
1.0
|
|
N5
|
A:TBS401
|
4.1
|
54.6
|
0.2
|
|
CG1
|
A:VAL66
|
4.1
|
40.5
|
1.0
|
|
C3
|
A:TBS401
|
4.2
|
84.8
|
0.3
|
|
C6
|
A:TBS401
|
4.2
|
80.2
|
0.3
|
|
C4
|
A:TBS401
|
4.2
|
60.3
|
0.3
|
|
CB
|
A:ILE174
|
4.3
|
35.1
|
1.0
|
|
CD2
|
A:PHE113
|
4.3
|
35.2
|
1.0
|
|
CD1
|
A:ILE174
|
4.3
|
36.9
|
1.0
|
|
CG1
|
A:ILE95
|
4.4
|
35.5
|
0.5
|
|
N5
|
A:TBS401
|
4.4
|
57.3
|
0.3
|
|
CG1
|
A:ILE95
|
4.5
|
35.0
|
0.5
|
|
CG
|
A:PHE113
|
4.5
|
34.9
|
1.0
|
|
CD1
|
A:ILE95
|
4.5
|
36.1
|
0.5
|
|
N8
|
A:TBS401
|
4.6
|
57.8
|
0.2
|
|
C7
|
A:TBS401
|
4.7
|
82.7
|
0.3
|
|
CD1
|
A:ILE95
|
4.7
|
36.7
|
0.5
|
|
CE2
|
A:PHE113
|
4.7
|
35.4
|
1.0
|
|
CB
|
A:VAL66
|
4.8
|
39.6
|
1.0
|
|
CB
|
A:PHE113
|
4.8
|
35.4
|
1.0
|
|
CG1
|
A:ILE174
|
4.9
|
35.2
|
1.0
|
|
BR10
|
A:TBS401
|
5.0
|
57.5
|
0.2
|
|
Bromine binding site 8 out
of 20 in 6tll
Go back to
Bromine Binding Sites List in 6tll
Bromine binding site 8 out
of 20 in the Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt)
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 8 of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br401
b:53.5
occ:0.20
|
BR11
|
A:TBS401
|
0.0
|
53.5
|
0.2
|
|
BR12
|
A:TBS401
|
0.4
|
52.3
|
0.2
|
|
C2
|
A:TBS401
|
1.6
|
54.0
|
0.2
|
|
C1
|
A:TBS401
|
1.9
|
55.3
|
0.2
|
|
BR13
|
A:TBS401
|
2.3
|
55.0
|
0.3
|
|
C3
|
A:TBS401
|
2.5
|
53.9
|
0.2
|
|
CG2
|
A:VAL116
|
2.5
|
54.1
|
0.6
|
|
C1
|
A:TBS401
|
2.6
|
55.2
|
0.2
|
|
C2
|
A:TBS401
|
2.8
|
55.2
|
0.2
|
|
C4
|
A:TBS401
|
2.9
|
56.4
|
0.2
|
|
BR11
|
A:TBS401
|
2.9
|
79.2
|
0.3
|
|
BR13
|
A:TBS401
|
3.0
|
53.7
|
0.2
|
|
BR11
|
A:TBS401
|
3.2
|
56.2
|
0.2
|
|
BR12
|
A:TBS401
|
3.2
|
53.4
|
0.2
|
|
BR10
|
A:TBS401
|
3.3
|
57.5
|
0.2
|
|
BR12
|
A:TBS401
|
3.3
|
57.8
|
0.3
|
|
CD1
|
A:ILE95
|
3.4
|
36.1
|
0.5
|
|
O
|
A:GLU114
|
3.5
|
40.9
|
0.4
|
|
CD1
|
A:ILE95
|
3.5
|
36.7
|
0.5
|
|
CG2
|
A:VAL66
|
3.7
|
41.5
|
1.0
|
|
C7
|
A:TBS401
|
3.8
|
53.9
|
0.2
|
|
C3
|
A:TBS401
|
3.8
|
57.4
|
0.3
|
|
CB
|
A:VAL116
|
3.8
|
55.0
|
0.6
|
|
N
|
A:VAL116
|
3.9
|
52.4
|
0.6
|
|
C4
|
A:TBS401
|
3.9
|
55.9
|
0.2
|
|
CB
|
A:VAL66
|
4.0
|
39.6
|
1.0
|
|
BR12
|
A:TBS401
|
4.0
|
88.0
|
0.3
|
|
N
|
A:VAL116
|
4.1
|
50.6
|
0.4
|
|
O
|
A:GLU114
|
4.1
|
42.0
|
0.6
|
|
C2
|
A:TBS401
|
4.1
|
59.5
|
0.3
|
|
C3
|
A:TBS401
|
4.1
|
55.9
|
0.2
|
|
C6
|
A:TBS401
|
4.2
|
57.3
|
0.2
|
|
CG1
|
A:ILE95
|
4.2
|
35.5
|
0.5
|
|
O
|
A:VAL116
|
4.2
|
55.6
|
0.6
|
|
CG1
|
A:ILE95
|
4.2
|
35.0
|
0.5
|
|
CG1
|
A:VAL66
|
4.3
|
40.5
|
1.0
|
|
CG2
|
A:VAL116
|
4.3
|
52.0
|
0.4
|
|
CA
|
A:VAL116
|
4.3
|
55.2
|
0.6
|
|
C6
|
A:TBS401
|
4.3
|
55.2
|
0.2
|
|
CB
|
A:VAL116
|
4.5
|
52.6
|
0.4
|
|
CG1
|
A:VAL116
|
4.5
|
55.9
|
0.6
|
|
CB
|
A:PHE113
|
4.5
|
35.4
|
1.0
|
|
C1
|
A:TBS401
|
4.6
|
80.7
|
0.3
|
|
C
|
A:HIS115
|
4.6
|
48.7
|
0.4
|
|
CA
|
A:HIS115
|
4.6
|
47.4
|
0.4
|
|
C
|
A:GLU114
|
4.6
|
42.2
|
0.4
|
|
C
|
A:VAL116
|
4.6
|
57.3
|
0.6
|
|
C7
|
A:TBS401
|
4.7
|
57.1
|
0.2
|
|
C
|
A:HIS115
|
4.8
|
51.1
|
0.6
|
|
CG2
|
A:ILE174
|
4.8
|
36.1
|
1.0
|
|
CA
|
A:VAL116
|
4.9
|
53.0
|
0.4
|
|
C2
|
A:TBS401
|
4.9
|
83.6
|
0.3
|
|
Bromine binding site 9 out
of 20 in 6tll
Go back to
Bromine Binding Sites List in 6tll
Bromine binding site 9 out
of 20 in the Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt)
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 9 of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br401
b:57.8
occ:0.30
|
BR12
|
A:TBS401
|
0.0
|
57.8
|
0.3
|
|
C4
|
A:TBS401
|
0.6
|
55.9
|
0.2
|
|
C4
|
A:TBS401
|
0.7
|
56.4
|
0.2
|
|
C1
|
A:TBS401
|
0.9
|
55.2
|
0.2
|
|
C6
|
A:TBS401
|
1.0
|
57.3
|
0.2
|
|
BR12
|
A:TBS401
|
1.1
|
88.0
|
0.3
|
|
C6
|
A:TBS401
|
1.7
|
55.2
|
0.2
|
|
C1
|
A:TBS401
|
1.7
|
55.3
|
0.2
|
|
C2
|
A:TBS401
|
1.9
|
54.0
|
0.2
|
|
C2
|
A:TBS401
|
1.9
|
59.5
|
0.3
|
|
C7
|
A:TBS401
|
2.0
|
57.1
|
0.2
|
|
N5
|
A:TBS401
|
2.2
|
58.4
|
0.2
|
|
BR10
|
A:TBS401
|
2.3
|
57.5
|
0.2
|
|
BR10
|
A:TBS401
|
2.3
|
59.0
|
0.2
|
|
C7
|
A:TBS401
|
2.3
|
53.9
|
0.2
|
|
C2
|
A:TBS401
|
2.4
|
55.2
|
0.2
|
|
C3
|
A:TBS401
|
2.4
|
53.9
|
0.2
|
|
C3
|
A:TBS401
|
2.5
|
55.9
|
0.2
|
|
BR11
|
A:TBS401
|
2.5
|
56.2
|
0.2
|
|
C3
|
A:TBS401
|
2.9
|
57.4
|
0.3
|
|
C1
|
A:TBS401
|
2.9
|
61.1
|
0.3
|
|
C2
|
A:TBS401
|
2.9
|
83.6
|
0.3
|
|
N5
|
A:TBS401
|
2.9
|
54.6
|
0.2
|
|
N8
|
A:TBS401
|
3.0
|
57.8
|
0.2
|
|
N9
|
A:TBS401
|
3.1
|
59.0
|
0.2
|
|
BR11
|
A:TBS401
|
3.3
|
70.5
|
0.3
|
|
BR13
|
A:TBS401
|
3.3
|
55.0
|
0.3
|
|
BR11
|
A:TBS401
|
3.3
|
53.5
|
0.2
|
|
BR11
|
A:TBS401
|
3.5
|
79.2
|
0.3
|
|
N8
|
A:TBS401
|
3.6
|
53.9
|
0.2
|
|
BR12
|
A:TBS401
|
3.6
|
52.3
|
0.2
|
|
C1
|
A:TBS401
|
3.6
|
80.7
|
0.3
|
|
N9
|
A:TBS401
|
3.8
|
53.9
|
0.2
|
|
C3
|
A:TBS401
|
4.0
|
84.8
|
0.3
|
|
CG1
|
A:VAL66
|
4.1
|
40.5
|
1.0
|
|
C7
|
A:TBS401
|
4.2
|
57.4
|
0.3
|
|
C4
|
A:TBS401
|
4.2
|
60.3
|
0.3
|
|
CG2
|
A:VAL66
|
4.2
|
41.5
|
1.0
|
|
BR12
|
A:TBS401
|
4.2
|
53.4
|
0.2
|
|
BR13
|
A:TBS401
|
4.3
|
53.7
|
0.2
|
|
CD1
|
A:LEU45
|
4.3
|
54.5
|
1.0
|
|
BR13
|
A:TBS401
|
4.3
|
92.5
|
0.3
|
|
BR13
|
A:TBS401
|
4.4
|
57.7
|
0.2
|
|
SD
|
A:MET163
|
4.4
|
60.2
|
1.0
|
|
O
|
A:VAL116
|
4.4
|
55.6
|
0.6
|
|
CE
|
A:MET163
|
4.4
|
60.3
|
1.0
|
|
CG1
|
A:VAL53
|
4.4
|
49.4
|
1.0
|
|
CG2
|
A:VAL116
|
4.5
|
54.1
|
0.6
|
|
OD1
|
A:ASN118
|
4.5
|
66.4
|
0.6
|
|
CG
|
A:MET163
|
4.5
|
52.6
|
1.0
|
|
CA
|
A:ASN118
|
4.6
|
63.2
|
0.6
|
|
CB
|
A:VAL66
|
4.7
|
39.6
|
1.0
|
|
C6
|
A:TBS401
|
4.7
|
58.2
|
0.3
|
|
O
|
A:ASN117
|
4.8
|
60.8
|
0.6
|
|
Bromine binding site 10 out
of 20 in 6tll
Go back to
Bromine Binding Sites List in 6tll
Bromine binding site 10 out
of 20 in the Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt)
 Mono view
 Stereo pair view
|
|
A full contact list of Bromine with other atoms in the Br binding
site number 10 of Human CK2 Kinase Alpha Subunit in Complex with the Atp-Competitive Inhibitor 4,5,6,7-Tetrabromobenzotriazole (Tbbt) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br401
b:52.3
occ:0.20
|
BR12
|
A:TBS401
|
0.0
|
52.3
|
0.2
|
|
BR11
|
A:TBS401
|
0.4
|
53.5
|
0.2
|
|
C2
|
A:TBS401
|
1.9
|
54.0
|
0.2
|
|
C1
|
A:TBS401
|
2.2
|
55.3
|
0.2
|
|
CG2
|
A:VAL116
|
2.5
|
54.1
|
0.6
|
|
BR13
|
A:TBS401
|
2.6
|
55.0
|
0.3
|
|
C3
|
A:TBS401
|
2.8
|
53.9
|
0.2
|
|
C1
|
A:TBS401
|
2.9
|
55.2
|
0.2
|
|
O
|
A:GLU114
|
3.1
|
40.9
|
0.4
|
|
C4
|
A:TBS401
|
3.1
|
56.4
|
0.2
|
|
C2
|
A:TBS401
|
3.2
|
55.2
|
0.2
|
|
BR13
|
A:TBS401
|
3.2
|
53.7
|
0.2
|
|
BR11
|
A:TBS401
|
3.2
|
79.2
|
0.3
|
|
BR11
|
A:TBS401
|
3.3
|
56.2
|
0.2
|
|
CD1
|
A:ILE95
|
3.4
|
36.1
|
0.5
|
|
BR10
|
A:TBS401
|
3.4
|
57.5
|
0.2
|
|
BR12
|
A:TBS401
|
3.5
|
53.4
|
0.2
|
|
CD1
|
A:ILE95
|
3.5
|
36.7
|
0.5
|
|
N
|
A:VAL116
|
3.6
|
52.4
|
0.6
|
|
CG2
|
A:VAL66
|
3.6
|
41.5
|
1.0
|
|
BR12
|
A:TBS401
|
3.6
|
57.8
|
0.3
|
|
CB
|
A:VAL116
|
3.7
|
55.0
|
0.6
|
|
O
|
A:GLU114
|
3.8
|
42.0
|
0.6
|
|
N
|
A:VAL116
|
3.8
|
50.6
|
0.4
|
|
CB
|
A:VAL66
|
3.9
|
39.6
|
1.0
|
|
O
|
A:VAL116
|
4.1
|
55.6
|
0.6
|
|
CA
|
A:VAL116
|
4.1
|
55.2
|
0.6
|
|
C7
|
A:TBS401
|
4.1
|
53.9
|
0.2
|
|
CG2
|
A:VAL116
|
4.1
|
52.0
|
0.4
|
|
C4
|
A:TBS401
|
4.2
|
55.9
|
0.2
|
|
CG1
|
A:ILE95
|
4.2
|
35.5
|
0.5
|
|
C3
|
A:TBS401
|
4.2
|
57.4
|
0.3
|
|
CG1
|
A:ILE95
|
4.2
|
35.0
|
0.5
|
|
CA
|
A:HIS115
|
4.2
|
47.4
|
0.4
|
|
C
|
A:GLU114
|
4.3
|
42.2
|
0.4
|
|
C
|
A:HIS115
|
4.3
|
48.7
|
0.4
|
|
CG1
|
A:VAL116
|
4.3
|
55.9
|
0.6
|
|
CG1
|
A:VAL66
|
4.3
|
40.5
|
1.0
|
|
BR12
|
A:TBS401
|
4.3
|
88.0
|
0.3
|
|
CB
|
A:VAL116
|
4.4
|
52.6
|
0.4
|
|
CB
|
A:PHE113
|
4.4
|
35.4
|
1.0
|
|
C
|
A:HIS115
|
4.4
|
51.1
|
0.6
|
|
C6
|
A:TBS401
|
4.5
|
57.3
|
0.2
|
|
C2
|
A:TBS401
|
4.5
|
59.5
|
0.3
|
|
C3
|
A:TBS401
|
4.5
|
55.9
|
0.2
|
|
C
|
A:VAL116
|
4.5
|
57.3
|
0.6
|
|
C6
|
A:TBS401
|
4.7
|
55.2
|
0.2
|
|
CA
|
A:VAL116
|
4.7
|
53.0
|
0.4
|
|
N
|
A:HIS115
|
4.7
|
45.3
|
0.4
|
|
CA
|
A:HIS115
|
4.8
|
49.9
|
0.6
|
|
O
|
A:HOH629
|
4.8
|
38.4
|
0.6
|
|
C
|
A:GLU114
|
4.8
|
43.9
|
0.6
|
|
C1
|
A:TBS401
|
4.9
|
80.7
|
0.3
|
|
Reference:
H.Czapinska,
A.Piasecka,
M.Winiewska-Szajewska,
M.Bochtler,
J.Poznanski.
Binding of Bromobenzotriazoles By the Catalytic Subunit of Human Protein Kinase CK2: Structural and Thermodynamics Studies. To Be Published.
Page generated: Thu Jul 11 02:43:49 2024
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