Bromine in PDB 8g6t: Bromodomain of Cbp Liganded with Inhibitor ICBP2
Enzymatic activity of Bromodomain of Cbp Liganded with Inhibitor ICBP2
All present enzymatic activity of Bromodomain of Cbp Liganded with Inhibitor ICBP2:
2.3.1.48;
Protein crystallography data
The structure of Bromodomain of Cbp Liganded with Inhibitor ICBP2, PDB code: 8g6t
was solved by
E.Schonbrunn,
M.Bikowitz,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
33.65 /
1.75
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
34.58,
55.91,
69.67,
93.06,
103.16,
106.53
|
R / Rfree (%)
|
19 /
22.2
|
Other elements in 8g6t:
The structure of Bromodomain of Cbp Liganded with Inhibitor ICBP2 also contains other interesting chemical elements:
Bromine Binding Sites:
The binding sites of Bromine atom in the Bromodomain of Cbp Liganded with Inhibitor ICBP2
(pdb code 8g6t). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine where determined in the
Bromodomain of Cbp Liganded with Inhibitor ICBP2, PDB code: 8g6t:
Jump to Bromine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Bromine binding site 1 out
of 8 in 8g6t
Go back to
Bromine Binding Sites List in 8g6t
Bromine binding site 1 out
of 8 in the Bromodomain of Cbp Liganded with Inhibitor ICBP2
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 1 of Bromodomain of Cbp Liganded with Inhibitor ICBP2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br1201
b:38.1
occ:1.00
|
BR37
|
A:YRI1201
|
0.0
|
38.1
|
1.0
|
C36
|
A:YRI1201
|
1.9
|
26.3
|
1.0
|
C38
|
A:YRI1201
|
2.8
|
26.8
|
1.0
|
C35
|
A:YRI1201
|
2.9
|
24.4
|
1.0
|
BR39
|
A:YRI1201
|
3.3
|
52.1
|
1.0
|
CE2
|
A:PHE1177
|
3.6
|
21.1
|
1.0
|
CB
|
A:ARG1173
|
3.6
|
21.9
|
1.0
|
CD2
|
A:PHE1177
|
3.7
|
22.1
|
1.0
|
CG2
|
A:VAL1174
|
3.8
|
15.1
|
1.0
|
CG
|
A:PRO1110
|
3.8
|
20.1
|
1.0
|
NH1
|
A:ARG1173
|
3.9
|
31.9
|
1.0
|
CZ
|
A:ARG1173
|
3.9
|
28.1
|
1.0
|
N
|
A:VAL1174
|
4.1
|
16.1
|
1.0
|
C32
|
A:YRI1201
|
4.1
|
29.3
|
1.0
|
NE
|
A:ARG1173
|
4.2
|
24.4
|
1.0
|
C34
|
A:YRI1201
|
4.2
|
29.6
|
1.0
|
C
|
A:ARG1173
|
4.3
|
15.4
|
1.0
|
NH2
|
A:ARG1173
|
4.4
|
35.1
|
1.0
|
CD
|
A:ARG1173
|
4.4
|
24.0
|
1.0
|
CA
|
A:VAL1174
|
4.4
|
14.2
|
1.0
|
CA
|
A:ARG1173
|
4.6
|
15.8
|
1.0
|
CZ
|
A:PHE1177
|
4.6
|
22.2
|
1.0
|
C33
|
A:YRI1201
|
4.7
|
27.3
|
1.0
|
CG
|
A:ARG1173
|
4.7
|
19.4
|
1.0
|
O
|
A:ARG1173
|
4.7
|
16.3
|
1.0
|
CD
|
A:PRO1110
|
4.8
|
16.6
|
1.0
|
CB
|
A:VAL1174
|
4.8
|
14.5
|
1.0
|
CG
|
A:PHE1177
|
4.8
|
16.8
|
1.0
|
CB
|
A:PRO1110
|
5.0
|
19.1
|
1.0
|
|
Bromine binding site 2 out
of 8 in 8g6t
Go back to
Bromine Binding Sites List in 8g6t
Bromine binding site 2 out
of 8 in the Bromodomain of Cbp Liganded with Inhibitor ICBP2
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 2 of Bromodomain of Cbp Liganded with Inhibitor ICBP2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Br1201
b:52.1
occ:1.00
|
BR39
|
A:YRI1201
|
0.0
|
52.1
|
1.0
|
C35
|
A:YRI1201
|
1.9
|
24.4
|
1.0
|
C36
|
A:YRI1201
|
2.9
|
26.3
|
1.0
|
C34
|
A:YRI1201
|
2.9
|
29.6
|
1.0
|
O
|
A:PRO1106
|
3.3
|
19.2
|
1.0
|
BR37
|
A:YRI1201
|
3.3
|
38.1
|
1.0
|
CE2
|
A:PHE1177
|
3.6
|
21.1
|
1.0
|
CD
|
A:PRO1110
|
3.6
|
16.6
|
1.0
|
CB
|
A:PRO1106
|
3.8
|
25.9
|
1.0
|
CG
|
A:PRO1110
|
3.8
|
20.1
|
1.0
|
CB
|
A:LEU1109
|
3.9
|
19.3
|
1.0
|
CD2
|
A:PHE1177
|
3.9
|
22.1
|
1.0
|
C
|
A:PRO1106
|
4.1
|
20.8
|
1.0
|
C33
|
A:YRI1201
|
4.2
|
27.3
|
1.0
|
C38
|
A:YRI1201
|
4.2
|
26.8
|
1.0
|
CG
|
A:LEU1109
|
4.5
|
21.8
|
1.0
|
CA
|
A:PRO1106
|
4.6
|
23.0
|
1.0
|
N
|
A:PRO1110
|
4.6
|
13.4
|
1.0
|
CD1
|
A:LEU1109
|
4.6
|
33.8
|
1.0
|
C32
|
A:YRI1201
|
4.7
|
29.3
|
1.0
|
CG
|
A:PRO1106
|
4.7
|
29.8
|
1.0
|
CZ
|
A:PHE1177
|
4.8
|
22.2
|
1.0
|
CA
|
A:LEU1109
|
4.8
|
18.6
|
1.0
|
N
|
A:LEU1109
|
4.9
|
18.6
|
1.0
|
|
Bromine binding site 3 out
of 8 in 8g6t
Go back to
Bromine Binding Sites List in 8g6t
Bromine binding site 3 out
of 8 in the Bromodomain of Cbp Liganded with Inhibitor ICBP2
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 3 of Bromodomain of Cbp Liganded with Inhibitor ICBP2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br1201
b:38.2
occ:1.00
|
BR37
|
B:YRI1201
|
0.0
|
38.2
|
1.0
|
C36
|
B:YRI1201
|
1.9
|
26.2
|
1.0
|
C38
|
B:YRI1201
|
2.8
|
23.0
|
1.0
|
C35
|
B:YRI1201
|
2.9
|
28.7
|
1.0
|
BR39
|
B:YRI1201
|
3.4
|
56.5
|
1.0
|
CE2
|
B:PHE1177
|
3.6
|
25.2
|
1.0
|
CB
|
B:ARG1173
|
3.7
|
13.1
|
1.0
|
CD2
|
B:PHE1177
|
3.7
|
19.2
|
1.0
|
CG
|
B:PRO1110
|
3.9
|
22.5
|
1.0
|
CG2
|
B:VAL1174
|
3.9
|
14.6
|
1.0
|
NH1
|
B:ARG1173
|
3.9
|
27.6
|
1.0
|
CZ
|
B:ARG1173
|
3.9
|
22.7
|
1.0
|
C32
|
B:YRI1201
|
4.1
|
27.9
|
1.0
|
NE
|
B:ARG1173
|
4.1
|
22.2
|
1.0
|
N
|
B:VAL1174
|
4.2
|
13.6
|
1.0
|
C34
|
B:YRI1201
|
4.2
|
28.0
|
1.0
|
CD
|
B:ARG1173
|
4.3
|
19.0
|
1.0
|
C
|
B:ARG1173
|
4.4
|
13.4
|
1.0
|
NH2
|
B:ARG1173
|
4.4
|
24.7
|
1.0
|
CA
|
B:VAL1174
|
4.5
|
12.3
|
1.0
|
O
|
D:HOH1311
|
4.6
|
17.0
|
1.0
|
CZ
|
B:PHE1177
|
4.6
|
20.7
|
1.0
|
C33
|
B:YRI1201
|
4.7
|
28.8
|
1.0
|
CG
|
B:ARG1173
|
4.7
|
16.6
|
1.0
|
CA
|
B:ARG1173
|
4.7
|
13.2
|
1.0
|
O
|
B:ARG1173
|
4.8
|
15.0
|
1.0
|
CD
|
B:PRO1110
|
4.8
|
18.9
|
1.0
|
CB
|
B:VAL1174
|
4.8
|
13.8
|
1.0
|
CG
|
B:PHE1177
|
4.9
|
18.3
|
1.0
|
CB
|
B:PRO1110
|
4.9
|
18.1
|
1.0
|
|
Bromine binding site 4 out
of 8 in 8g6t
Go back to
Bromine Binding Sites List in 8g6t
Bromine binding site 4 out
of 8 in the Bromodomain of Cbp Liganded with Inhibitor ICBP2
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 4 of Bromodomain of Cbp Liganded with Inhibitor ICBP2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br1201
b:56.5
occ:1.00
|
BR39
|
B:YRI1201
|
0.0
|
56.5
|
1.0
|
C35
|
B:YRI1201
|
1.9
|
28.7
|
1.0
|
C34
|
B:YRI1201
|
2.9
|
28.0
|
1.0
|
C36
|
B:YRI1201
|
2.9
|
26.2
|
1.0
|
O
|
B:PRO1106
|
3.4
|
24.0
|
1.0
|
CE2
|
B:PHE1177
|
3.4
|
25.2
|
1.0
|
BR37
|
B:YRI1201
|
3.4
|
38.2
|
1.0
|
CD
|
B:PRO1110
|
3.7
|
18.9
|
1.0
|
CD2
|
B:PHE1177
|
3.9
|
19.2
|
1.0
|
CG
|
B:PRO1110
|
3.9
|
22.5
|
1.0
|
CB
|
B:PRO1106
|
4.0
|
32.4
|
1.0
|
CD1
|
B:LEU1109
|
4.0
|
25.5
|
1.0
|
CB
|
B:LEU1109
|
4.1
|
27.5
|
1.0
|
C33
|
B:YRI1201
|
4.2
|
28.8
|
1.0
|
C38
|
B:YRI1201
|
4.2
|
23.0
|
1.0
|
CG
|
B:LEU1109
|
4.3
|
27.5
|
1.0
|
C
|
B:PRO1106
|
4.3
|
28.5
|
1.0
|
O
|
D:HOH1386
|
4.5
|
29.4
|
1.0
|
CZ
|
B:PHE1177
|
4.6
|
20.7
|
1.0
|
O
|
D:HOH1371
|
4.6
|
27.2
|
1.0
|
N
|
B:PRO1110
|
4.6
|
17.1
|
1.0
|
C32
|
B:YRI1201
|
4.7
|
27.9
|
1.0
|
CG
|
B:PRO1106
|
4.7
|
30.0
|
1.0
|
CA
|
B:PRO1106
|
4.7
|
35.0
|
1.0
|
CA
|
B:LEU1109
|
4.9
|
23.5
|
1.0
|
N
|
B:LEU1109
|
4.9
|
19.4
|
1.0
|
|
Bromine binding site 5 out
of 8 in 8g6t
Go back to
Bromine Binding Sites List in 8g6t
Bromine binding site 5 out
of 8 in the Bromodomain of Cbp Liganded with Inhibitor ICBP2
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 5 of Bromodomain of Cbp Liganded with Inhibitor ICBP2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Br1201
b:43.6
occ:1.00
|
BR37
|
C:YRI1201
|
0.0
|
43.6
|
1.0
|
C36
|
C:YRI1201
|
1.9
|
40.6
|
1.0
|
C38
|
C:YRI1201
|
2.9
|
39.9
|
1.0
|
C35
|
C:YRI1201
|
2.9
|
48.5
|
1.0
|
BR39
|
C:YRI1201
|
3.3
|
91.0
|
1.0
|
CB
|
C:ARG1173
|
3.6
|
19.2
|
1.0
|
CE2
|
C:PHE1177
|
3.8
|
26.3
|
1.0
|
CG2
|
C:VAL1174
|
3.8
|
22.0
|
1.0
|
CG
|
C:PRO1110
|
3.8
|
26.0
|
1.0
|
CZ
|
C:ARG1173
|
3.9
|
28.4
|
1.0
|
CD2
|
C:PHE1177
|
3.9
|
25.5
|
1.0
|
NE
|
C:ARG1173
|
4.0
|
24.8
|
1.0
|
NH1
|
C:ARG1173
|
4.0
|
34.5
|
1.0
|
N
|
C:VAL1174
|
4.1
|
16.6
|
1.0
|
C32
|
C:YRI1201
|
4.1
|
45.3
|
1.0
|
C34
|
C:YRI1201
|
4.2
|
44.3
|
1.0
|
NH2
|
C:ARG1173
|
4.3
|
34.8
|
1.0
|
O
|
C:HOH1354
|
4.3
|
18.7
|
1.0
|
C
|
C:ARG1173
|
4.4
|
19.0
|
1.0
|
CD
|
C:ARG1173
|
4.4
|
22.6
|
1.0
|
CA
|
C:VAL1174
|
4.5
|
15.8
|
1.0
|
CA
|
C:ARG1173
|
4.6
|
18.1
|
1.0
|
CG
|
C:ARG1173
|
4.7
|
22.0
|
1.0
|
C33
|
C:YRI1201
|
4.7
|
48.0
|
1.0
|
CZ
|
C:PHE1177
|
4.8
|
24.4
|
1.0
|
CB
|
C:VAL1174
|
4.8
|
21.8
|
1.0
|
CD
|
C:PRO1110
|
4.8
|
24.0
|
1.0
|
O
|
C:ARG1173
|
4.8
|
18.1
|
1.0
|
CB
|
C:PRO1110
|
4.9
|
24.0
|
1.0
|
|
Bromine binding site 6 out
of 8 in 8g6t
Go back to
Bromine Binding Sites List in 8g6t
Bromine binding site 6 out
of 8 in the Bromodomain of Cbp Liganded with Inhibitor ICBP2
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 6 of Bromodomain of Cbp Liganded with Inhibitor ICBP2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Br1201
b:91.0
occ:1.00
|
BR39
|
C:YRI1201
|
0.0
|
91.0
|
1.0
|
C35
|
C:YRI1201
|
1.9
|
48.5
|
1.0
|
C36
|
C:YRI1201
|
2.9
|
40.6
|
1.0
|
C34
|
C:YRI1201
|
2.9
|
44.3
|
1.0
|
BR37
|
C:YRI1201
|
3.3
|
43.6
|
1.0
|
CE2
|
C:PHE1177
|
3.7
|
26.3
|
1.0
|
CD
|
C:PRO1110
|
3.8
|
24.0
|
1.0
|
CG
|
C:PRO1110
|
3.8
|
26.0
|
1.0
|
O
|
C:PRO1106
|
3.8
|
31.4
|
1.0
|
CB
|
C:LEU1109
|
4.0
|
29.7
|
1.0
|
CD2
|
C:PHE1177
|
4.2
|
25.5
|
1.0
|
C33
|
C:YRI1201
|
4.2
|
48.0
|
1.0
|
C38
|
C:YRI1201
|
4.2
|
39.9
|
1.0
|
CB
|
C:PRO1106
|
4.3
|
40.3
|
1.0
|
N
|
C:PRO1110
|
4.6
|
20.4
|
1.0
|
C32
|
C:YRI1201
|
4.7
|
45.3
|
1.0
|
C
|
C:PRO1106
|
4.7
|
35.0
|
1.0
|
CZ
|
C:PHE1177
|
4.8
|
24.4
|
1.0
|
CG
|
C:LEU1109
|
4.8
|
36.2
|
1.0
|
NH1
|
C:ARG1173
|
5.0
|
34.5
|
1.0
|
|
Bromine binding site 7 out
of 8 in 8g6t
Go back to
Bromine Binding Sites List in 8g6t
Bromine binding site 7 out
of 8 in the Bromodomain of Cbp Liganded with Inhibitor ICBP2
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 7 of Bromodomain of Cbp Liganded with Inhibitor ICBP2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Br1201
b:39.4
occ:1.00
|
BR37
|
D:YRI1201
|
0.0
|
39.4
|
1.0
|
C36
|
D:YRI1201
|
1.9
|
25.9
|
1.0
|
C38
|
D:YRI1201
|
2.8
|
26.6
|
1.0
|
C35
|
D:YRI1201
|
2.9
|
36.7
|
1.0
|
BR39
|
D:YRI1201
|
3.4
|
68.2
|
1.0
|
CE2
|
D:PHE1177
|
3.6
|
23.2
|
1.0
|
CB
|
D:ARG1173
|
3.6
|
18.7
|
1.0
|
CD2
|
D:PHE1177
|
3.7
|
24.8
|
1.0
|
CG
|
D:PRO1110
|
3.7
|
21.5
|
1.0
|
CG2
|
D:VAL1174
|
3.9
|
18.8
|
1.0
|
CZ
|
D:ARG1173
|
4.0
|
25.2
|
1.0
|
NH1
|
D:ARG1173
|
4.0
|
25.3
|
1.0
|
C32
|
D:YRI1201
|
4.1
|
30.0
|
1.0
|
N
|
D:VAL1174
|
4.1
|
14.5
|
1.0
|
NE
|
D:ARG1173
|
4.1
|
23.9
|
1.0
|
C34
|
D:YRI1201
|
4.2
|
30.6
|
1.0
|
C
|
D:ARG1173
|
4.2
|
14.4
|
1.0
|
CD
|
D:ARG1173
|
4.3
|
19.8
|
1.0
|
CA
|
D:VAL1174
|
4.4
|
14.2
|
1.0
|
NH2
|
D:ARG1173
|
4.5
|
30.8
|
1.0
|
CA
|
D:ARG1173
|
4.6
|
14.7
|
1.0
|
O
|
D:ARG1173
|
4.6
|
15.9
|
1.0
|
O
|
D:HOH1368
|
4.6
|
17.1
|
1.0
|
CZ
|
D:PHE1177
|
4.6
|
24.4
|
1.0
|
CG
|
D:ARG1173
|
4.6
|
17.2
|
1.0
|
C33
|
D:YRI1201
|
4.7
|
30.1
|
1.0
|
CD
|
D:PRO1110
|
4.7
|
16.2
|
1.0
|
CB
|
D:VAL1174
|
4.8
|
16.4
|
1.0
|
CG
|
D:PHE1177
|
4.8
|
18.1
|
1.0
|
CB
|
D:PRO1110
|
4.9
|
17.4
|
1.0
|
|
Bromine binding site 8 out
of 8 in 8g6t
Go back to
Bromine Binding Sites List in 8g6t
Bromine binding site 8 out
of 8 in the Bromodomain of Cbp Liganded with Inhibitor ICBP2
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 8 of Bromodomain of Cbp Liganded with Inhibitor ICBP2 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Br1201
b:68.2
occ:1.00
|
BR39
|
D:YRI1201
|
0.0
|
68.2
|
1.0
|
C35
|
D:YRI1201
|
1.9
|
36.7
|
1.0
|
C34
|
D:YRI1201
|
2.9
|
30.6
|
1.0
|
C36
|
D:YRI1201
|
2.9
|
25.9
|
1.0
|
O
|
D:PRO1106
|
3.4
|
17.3
|
1.0
|
BR37
|
D:YRI1201
|
3.4
|
39.4
|
1.0
|
CE2
|
D:PHE1177
|
3.5
|
23.2
|
1.0
|
CD
|
D:PRO1110
|
3.8
|
16.2
|
1.0
|
CG
|
D:PRO1110
|
3.9
|
21.5
|
1.0
|
CD2
|
D:PHE1177
|
3.9
|
24.8
|
1.0
|
CB
|
D:LEU1109
|
4.0
|
22.7
|
1.0
|
CB
|
D:PRO1106
|
4.0
|
24.6
|
1.0
|
C33
|
D:YRI1201
|
4.2
|
30.1
|
1.0
|
C38
|
D:YRI1201
|
4.2
|
26.6
|
1.0
|
C
|
D:PRO1106
|
4.3
|
17.6
|
1.0
|
CD1
|
D:LEU1109
|
4.3
|
30.4
|
1.0
|
CG
|
D:LEU1109
|
4.6
|
24.5
|
1.0
|
C32
|
D:YRI1201
|
4.7
|
30.0
|
1.0
|
N
|
D:PRO1110
|
4.7
|
16.0
|
1.0
|
CZ
|
D:PHE1177
|
4.7
|
24.4
|
1.0
|
CG
|
D:PRO1106
|
4.7
|
26.5
|
1.0
|
CA
|
D:PRO1106
|
4.8
|
20.3
|
1.0
|
CA
|
D:LEU1109
|
4.9
|
17.3
|
1.0
|
|
Reference:
E.Schonbrunn,
M.Bikowitz.
Group 3 Medulloblastoma Transcriptional Networks Are Sensitive to EP300/Cbp Bromodomain Inhibition To Be Published.
Page generated: Thu Jul 11 05:10:18 2024
|