Chlorine in PDB 7t0s: Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864
Protein crystallography data
The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864, PDB code: 7t0s
was solved by
D.A.Kuntz,
G.G.Prive,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
29.78 /
1.86
|
|
Space group
|
C 1 2 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
92.74,
72.29,
55.33,
90,
108.32,
90
|
|
R / Rfree (%)
|
21.2 /
25
|
Other elements in 7t0s:
The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864 also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864
(pdb code 7t0s). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the
Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864, PDB code: 7t0s:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Chlorine binding site 1 out
of 9 in 7t0s
Go back to
Chlorine Binding Sites List in 7t0s
Chlorine binding site 1 out
of 9 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:28.1
occ:0.93
|
CL09
|
A:E2E201
|
0.0
|
28.1
|
0.9
|
|
C08
|
A:E2E201
|
1.8
|
29.5
|
0.9
|
|
C07
|
A:E2E201
|
2.7
|
24.2
|
0.9
|
|
C10
|
A:E2E201
|
2.8
|
27.0
|
0.9
|
|
H071
|
A:E2E201
|
2.8
|
29.1
|
0.9
|
|
HB2
|
A:ASP17
|
2.9
|
31.1
|
1.0
|
|
HB3
|
A:ASP17
|
2.9
|
31.1
|
1.0
|
|
O11
|
A:E2E201
|
3.0
|
25.2
|
0.9
|
|
H111
|
A:E2E201
|
3.1
|
30.3
|
0.9
|
|
HG23
|
A:VAL18
|
3.3
|
26.0
|
1.0
|
|
ND1
|
A:HIS14
|
3.3
|
21.7
|
1.0
|
|
CB
|
A:ASP17
|
3.3
|
25.8
|
1.0
|
|
HA
|
A:HIS14
|
3.5
|
30.7
|
1.0
|
|
HG22
|
A:VAL18
|
3.5
|
26.0
|
1.0
|
|
HE1
|
A:HIS14
|
3.7
|
28.4
|
1.0
|
|
H
|
A:VAL18
|
3.7
|
25.7
|
1.0
|
|
CE1
|
A:HIS14
|
3.7
|
23.6
|
1.0
|
|
O
|
A:HIS14
|
3.7
|
22.1
|
1.0
|
|
CG2
|
A:VAL18
|
3.8
|
21.6
|
1.0
|
|
N
|
A:VAL18
|
3.9
|
21.4
|
1.0
|
|
O
|
A:HOH335
|
3.9
|
39.9
|
1.0
|
|
C06
|
A:E2E201
|
4.0
|
25.3
|
0.9
|
|
C12
|
A:E2E201
|
4.1
|
26.7
|
0.9
|
|
C
|
A:ASP17
|
4.1
|
24.0
|
1.0
|
|
CG
|
A:HIS14
|
4.2
|
23.6
|
1.0
|
|
HA
|
A:VAL18
|
4.2
|
23.7
|
1.0
|
|
CA
|
A:HIS14
|
4.3
|
25.6
|
1.0
|
|
CA
|
A:ASP17
|
4.3
|
24.0
|
1.0
|
|
OD2
|
A:ASP17
|
4.4
|
42.1
|
1.0
|
|
CG
|
A:ASP17
|
4.4
|
38.7
|
1.0
|
|
C
|
A:HIS14
|
4.4
|
24.0
|
1.0
|
|
CA
|
A:VAL18
|
4.5
|
19.8
|
1.0
|
|
HG21
|
A:VAL18
|
4.5
|
26.0
|
1.0
|
|
C16
|
A:E2E201
|
4.6
|
24.6
|
0.9
|
|
NE2
|
A:HIS14
|
4.6
|
22.8
|
1.0
|
|
CB
|
A:HIS14
|
4.7
|
23.5
|
1.0
|
|
HD22
|
A:ASN21
|
4.7
|
27.1
|
1.0
|
|
O
|
A:HOH350
|
4.7
|
27.7
|
0.5
|
|
O
|
A:ASP17
|
4.8
|
22.6
|
1.0
|
|
CB
|
A:VAL18
|
4.8
|
18.5
|
1.0
|
|
H
|
A:ASP17
|
4.8
|
28.9
|
1.0
|
|
HB2
|
A:HIS14
|
4.9
|
28.2
|
1.0
|
|
CD2
|
A:HIS14
|
4.9
|
22.2
|
1.0
|
|
H171
|
A:E2E201
|
4.9
|
26.9
|
0.9
|
|
H151
|
A:E2E201
|
5.0
|
34.9
|
0.9
|
|
Chlorine binding site 2 out
of 9 in 7t0s
Go back to
Chlorine Binding Sites List in 7t0s
Chlorine binding site 2 out
of 9 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:16.9
occ:0.93
|
CL35
|
A:E2E201
|
0.0
|
16.9
|
0.9
|
|
C34
|
A:E2E201
|
1.8
|
23.5
|
0.9
|
|
H211
|
A:E2E201
|
2.6
|
24.1
|
0.9
|
|
C22
|
A:E2E201
|
2.7
|
22.4
|
0.9
|
|
C33
|
A:E2E201
|
2.8
|
25.2
|
0.9
|
|
H331
|
A:E2E201
|
2.8
|
30.3
|
0.9
|
|
HB3
|
A:ASN21
|
2.9
|
21.3
|
1.0
|
|
HD21
|
A:LEU25
|
2.9
|
26.2
|
1.0
|
|
N21
|
A:E2E201
|
3.0
|
20.0
|
0.9
|
|
HG
|
A:LEU25
|
3.0
|
24.9
|
1.0
|
|
HD11
|
A:LEU25
|
3.2
|
24.2
|
1.0
|
|
CD2
|
A:LEU25
|
3.5
|
21.8
|
1.0
|
|
CG
|
A:LEU25
|
3.6
|
20.7
|
1.0
|
|
CD1
|
A:LEU25
|
3.7
|
20.1
|
1.0
|
|
HD13
|
A:LEU25
|
3.7
|
24.2
|
1.0
|
|
HD23
|
A:LEU25
|
3.8
|
26.2
|
1.0
|
|
CB
|
A:ASN21
|
3.8
|
17.7
|
1.0
|
|
O
|
A:ASN21
|
3.9
|
19.7
|
1.0
|
|
N32
|
A:E2E201
|
4.0
|
26.0
|
0.9
|
|
C23
|
A:E2E201
|
4.0
|
25.9
|
0.9
|
|
CG
|
A:ASN21
|
4.3
|
23.4
|
1.0
|
|
C
|
A:ASN21
|
4.3
|
20.3
|
1.0
|
|
C20
|
A:E2E201
|
4.4
|
24.8
|
0.9
|
|
HB2
|
A:ASN21
|
4.4
|
21.3
|
1.0
|
|
HD22
|
A:LEU25
|
4.4
|
26.2
|
1.0
|
|
HA
|
A:ASN21
|
4.5
|
23.0
|
1.0
|
|
CA
|
A:ASN21
|
4.5
|
19.1
|
1.0
|
|
C24
|
A:E2E201
|
4.5
|
25.9
|
0.9
|
|
HD22
|
A:ASN21
|
4.5
|
27.1
|
1.0
|
|
ND2
|
A:ASN21
|
4.6
|
22.5
|
1.0
|
|
HD12
|
A:LEU25
|
4.6
|
24.2
|
1.0
|
|
H191
|
A:E2E201
|
4.7
|
26.8
|
0.9
|
|
H231
|
A:E2E201
|
4.8
|
31.1
|
0.9
|
|
OD1
|
A:ASN21
|
4.9
|
23.0
|
1.0
|
|
HB2
|
A:ARG24
|
4.9
|
26.0
|
1.0
|
|
H
|
A:LEU25
|
5.0
|
25.8
|
1.0
|
|
Chlorine binding site 3 out
of 9 in 7t0s
Go back to
Chlorine Binding Sites List in 7t0s
Chlorine binding site 3 out
of 9 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl203
b:61.2
occ:1.00
|
H
|
A:GLN42
|
2.4
|
39.7
|
1.0
|
|
HA
|
A:GLU41
|
2.7
|
42.1
|
1.0
|
|
HH22
|
B:ARG28
|
3.0
|
42.4
|
1.0
|
|
N
|
A:GLN42
|
3.3
|
33.0
|
1.0
|
|
NH2
|
B:ARG28
|
3.4
|
35.3
|
1.0
|
|
HB2
|
A:GLN42
|
3.4
|
41.7
|
1.0
|
|
HH21
|
B:ARG28
|
3.5
|
42.4
|
1.0
|
|
O
|
A:ARG40
|
3.6
|
44.1
|
1.0
|
|
OE1
|
A:GLU41
|
3.7
|
43.1
|
1.0
|
|
CA
|
A:GLU41
|
3.7
|
35.1
|
1.0
|
|
HH22
|
C:ARG67
|
3.9
|
52.4
|
1.0
|
|
C
|
A:GLU41
|
4.0
|
37.7
|
1.0
|
|
HB
|
C:THR62
|
4.0
|
47.7
|
1.0
|
|
HG3
|
A:GLN42
|
4.1
|
47.4
|
1.0
|
|
O
|
A:GLN42
|
4.2
|
29.4
|
1.0
|
|
HH21
|
C:ARG67
|
4.2
|
52.4
|
1.0
|
|
CB
|
A:GLN42
|
4.2
|
34.7
|
1.0
|
|
CZ
|
B:ARG28
|
4.3
|
37.7
|
1.0
|
|
CA
|
A:GLN42
|
4.3
|
32.8
|
1.0
|
|
O
|
C:THR62
|
4.3
|
47.9
|
1.0
|
|
HH12
|
B:ARG28
|
4.4
|
44.1
|
1.0
|
|
NH2
|
C:ARG67
|
4.4
|
43.7
|
1.0
|
|
C
|
A:ARG40
|
4.5
|
40.4
|
1.0
|
|
HB3
|
A:GLU41
|
4.5
|
45.3
|
1.0
|
|
N
|
A:GLU41
|
4.6
|
38.3
|
1.0
|
|
CB
|
A:GLU41
|
4.6
|
37.7
|
1.0
|
|
CG
|
A:GLN42
|
4.7
|
39.4
|
1.0
|
|
NH1
|
B:ARG28
|
4.7
|
36.7
|
1.0
|
|
CD
|
A:GLU41
|
4.7
|
42.9
|
1.0
|
|
C
|
A:GLN42
|
4.7
|
30.8
|
1.0
|
|
HD13
|
B:ILE30
|
4.8
|
36.9
|
1.0
|
|
HG23
|
C:THR62
|
5.0
|
55.3
|
1.0
|
|
Chlorine binding site 4 out
of 9 in 7t0s
Go back to
Chlorine Binding Sites List in 7t0s
Chlorine binding site 4 out
of 9 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl201
b:26.4
occ:0.72
|
CL09
|
B:E2E201
|
0.0
|
26.4
|
0.7
|
|
CL09
|
B:E2E201
|
0.0
|
25.3
|
0.3
|
|
C08
|
B:E2E201
|
1.8
|
23.8
|
0.7
|
|
C08
|
B:E2E201
|
1.8
|
23.6
|
0.3
|
|
H111
|
B:E2E201
|
2.7
|
29.1
|
0.3
|
|
H111
|
B:E2E201
|
2.7
|
29.2
|
0.7
|
|
C07
|
B:E2E201
|
2.7
|
24.2
|
0.7
|
|
C10
|
B:E2E201
|
2.8
|
24.4
|
0.7
|
|
HB2
|
C:ASP17
|
2.8
|
31.2
|
1.0
|
|
C07
|
B:E2E201
|
2.8
|
24.4
|
0.3
|
|
C10
|
B:E2E201
|
2.8
|
24.1
|
0.3
|
|
H071
|
B:E2E201
|
2.8
|
29.1
|
0.7
|
|
H071
|
B:E2E201
|
2.9
|
29.4
|
0.3
|
|
HB3
|
C:ASP17
|
3.0
|
31.2
|
1.0
|
|
O11
|
B:E2E201
|
3.0
|
24.3
|
0.7
|
|
O11
|
B:E2E201
|
3.0
|
24.2
|
0.3
|
|
HG23
|
C:VAL18
|
3.1
|
27.4
|
1.0
|
|
HG21
|
C:VAL18
|
3.3
|
27.4
|
1.0
|
|
ND1
|
C:HIS14
|
3.3
|
22.5
|
1.0
|
|
CB
|
C:ASP17
|
3.3
|
26.0
|
1.0
|
|
HA
|
C:HIS14
|
3.4
|
28.9
|
1.0
|
|
O
|
C:HIS14
|
3.5
|
20.1
|
1.0
|
|
H
|
C:VAL18
|
3.5
|
26.5
|
1.0
|
|
CG2
|
C:VAL18
|
3.6
|
22.8
|
1.0
|
|
N
|
C:VAL18
|
3.7
|
22.1
|
1.0
|
|
HE1
|
C:HIS14
|
3.7
|
27.1
|
1.0
|
|
CE1
|
C:HIS14
|
3.7
|
22.5
|
1.0
|
|
C
|
C:ASP17
|
4.0
|
22.3
|
1.0
|
|
HA
|
B:CYS53
|
4.0
|
26.9
|
1.0
|
|
C06
|
B:E2E201
|
4.0
|
24.2
|
0.7
|
|
HA
|
C:VAL18
|
4.0
|
22.6
|
1.0
|
|
C12
|
B:E2E201
|
4.1
|
24.7
|
0.7
|
|
C06
|
B:E2E201
|
4.1
|
24.3
|
0.3
|
|
C12
|
B:E2E201
|
4.1
|
25.0
|
0.3
|
|
O
|
B:HOH322
|
4.1
|
27.0
|
1.0
|
|
O
|
B:ALA52
|
4.1
|
21.4
|
1.0
|
|
CG
|
C:HIS14
|
4.2
|
23.6
|
1.0
|
|
CA
|
C:HIS14
|
4.2
|
24.1
|
1.0
|
|
CA
|
C:ASP17
|
4.2
|
24.3
|
1.0
|
|
C
|
C:HIS14
|
4.3
|
23.2
|
1.0
|
|
HG22
|
C:VAL18
|
4.3
|
27.4
|
1.0
|
|
CA
|
C:VAL18
|
4.3
|
18.8
|
1.0
|
|
CG
|
C:ASP17
|
4.4
|
29.6
|
1.0
|
|
OD2
|
C:ASP17
|
4.5
|
37.2
|
1.0
|
|
C16
|
B:E2E201
|
4.6
|
24.2
|
0.7
|
|
C16
|
B:E2E201
|
4.6
|
24.7
|
0.3
|
|
O
|
C:ASP17
|
4.6
|
24.6
|
1.0
|
|
CB
|
C:VAL18
|
4.6
|
20.4
|
1.0
|
|
CB
|
C:HIS14
|
4.7
|
23.8
|
1.0
|
|
H
|
C:ASP17
|
4.7
|
30.1
|
1.0
|
|
HD22
|
C:ASN21
|
4.7
|
29.6
|
1.0
|
|
NE2
|
C:HIS14
|
4.7
|
23.2
|
1.0
|
|
SG
|
B:CYS53
|
4.8
|
21.4
|
1.0
|
|
HB2
|
C:HIS14
|
4.8
|
28.6
|
1.0
|
|
CA
|
B:CYS53
|
4.9
|
22.4
|
1.0
|
|
N
|
C:ASP17
|
4.9
|
25.1
|
1.0
|
|
CD2
|
C:HIS14
|
4.9
|
22.1
|
1.0
|
|
H151
|
B:E2E201
|
5.0
|
29.8
|
0.3
|
|
HA
|
C:ASP17
|
5.0
|
29.2
|
1.0
|
|
H151
|
B:E2E201
|
5.0
|
31.3
|
0.7
|
|
Chlorine binding site 5 out
of 9 in 7t0s
Go back to
Chlorine Binding Sites List in 7t0s
Chlorine binding site 5 out
of 9 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl201
b:25.3
occ:0.28
|
CL09
|
B:E2E201
|
0.0
|
25.3
|
0.3
|
|
CL09
|
B:E2E201
|
0.0
|
26.4
|
0.7
|
|
C08
|
B:E2E201
|
1.8
|
23.8
|
0.7
|
|
C08
|
B:E2E201
|
1.8
|
23.6
|
0.3
|
|
H111
|
B:E2E201
|
2.7
|
29.1
|
0.3
|
|
C07
|
B:E2E201
|
2.7
|
24.2
|
0.7
|
|
H111
|
B:E2E201
|
2.7
|
29.2
|
0.7
|
|
C10
|
B:E2E201
|
2.7
|
24.4
|
0.7
|
|
C07
|
B:E2E201
|
2.8
|
24.4
|
0.3
|
|
C10
|
B:E2E201
|
2.8
|
24.1
|
0.3
|
|
HB2
|
C:ASP17
|
2.8
|
31.2
|
1.0
|
|
H071
|
B:E2E201
|
2.8
|
29.1
|
0.7
|
|
H071
|
B:E2E201
|
2.8
|
29.4
|
0.3
|
|
HB3
|
C:ASP17
|
3.0
|
31.2
|
1.0
|
|
O11
|
B:E2E201
|
3.0
|
24.3
|
0.7
|
|
O11
|
B:E2E201
|
3.0
|
24.2
|
0.3
|
|
HG23
|
C:VAL18
|
3.1
|
27.4
|
1.0
|
|
HG21
|
C:VAL18
|
3.3
|
27.4
|
1.0
|
|
ND1
|
C:HIS14
|
3.3
|
22.5
|
1.0
|
|
CB
|
C:ASP17
|
3.3
|
26.0
|
1.0
|
|
HA
|
C:HIS14
|
3.4
|
28.9
|
1.0
|
|
O
|
C:HIS14
|
3.5
|
20.1
|
1.0
|
|
H
|
C:VAL18
|
3.5
|
26.5
|
1.0
|
|
CG2
|
C:VAL18
|
3.6
|
22.8
|
1.0
|
|
HE1
|
C:HIS14
|
3.7
|
27.1
|
1.0
|
|
CE1
|
C:HIS14
|
3.7
|
22.5
|
1.0
|
|
N
|
C:VAL18
|
3.7
|
22.1
|
1.0
|
|
HA
|
B:CYS53
|
3.9
|
26.9
|
1.0
|
|
C
|
C:ASP17
|
4.0
|
22.3
|
1.0
|
|
C06
|
B:E2E201
|
4.0
|
24.2
|
0.7
|
|
C12
|
B:E2E201
|
4.0
|
24.7
|
0.7
|
|
HA
|
C:VAL18
|
4.0
|
22.6
|
1.0
|
|
C06
|
B:E2E201
|
4.0
|
24.3
|
0.3
|
|
C12
|
B:E2E201
|
4.1
|
25.0
|
0.3
|
|
O
|
B:HOH322
|
4.1
|
27.0
|
1.0
|
|
O
|
B:ALA52
|
4.1
|
21.4
|
1.0
|
|
CG
|
C:HIS14
|
4.2
|
23.6
|
1.0
|
|
CA
|
C:HIS14
|
4.2
|
24.1
|
1.0
|
|
CA
|
C:ASP17
|
4.2
|
24.3
|
1.0
|
|
C
|
C:HIS14
|
4.3
|
23.2
|
1.0
|
|
HG22
|
C:VAL18
|
4.3
|
27.4
|
1.0
|
|
CA
|
C:VAL18
|
4.3
|
18.8
|
1.0
|
|
CG
|
C:ASP17
|
4.5
|
29.6
|
1.0
|
|
OD2
|
C:ASP17
|
4.5
|
37.2
|
1.0
|
|
C16
|
B:E2E201
|
4.5
|
24.2
|
0.7
|
|
C16
|
B:E2E201
|
4.6
|
24.7
|
0.3
|
|
O
|
C:ASP17
|
4.6
|
24.6
|
1.0
|
|
CB
|
C:VAL18
|
4.6
|
20.4
|
1.0
|
|
HD22
|
C:ASN21
|
4.7
|
29.6
|
1.0
|
|
CB
|
C:HIS14
|
4.7
|
23.8
|
1.0
|
|
NE2
|
C:HIS14
|
4.7
|
23.2
|
1.0
|
|
H
|
C:ASP17
|
4.7
|
30.1
|
1.0
|
|
SG
|
B:CYS53
|
4.8
|
21.4
|
1.0
|
|
HB2
|
C:HIS14
|
4.9
|
28.6
|
1.0
|
|
CA
|
B:CYS53
|
4.9
|
22.4
|
1.0
|
|
N
|
C:ASP17
|
4.9
|
25.1
|
1.0
|
|
CD2
|
C:HIS14
|
4.9
|
22.1
|
1.0
|
|
H151
|
B:E2E201
|
5.0
|
29.8
|
0.3
|
|
H151
|
B:E2E201
|
5.0
|
31.3
|
0.7
|
|
Chlorine binding site 6 out
of 9 in 7t0s
Go back to
Chlorine Binding Sites List in 7t0s
Chlorine binding site 6 out
of 9 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl201
b:23.7
occ:0.72
|
CL35
|
B:E2E201
|
0.0
|
23.7
|
0.7
|
|
CL35
|
B:E2E201
|
0.4
|
21.6
|
0.3
|
|
C34
|
B:E2E201
|
1.4
|
26.0
|
0.3
|
|
C34
|
B:E2E201
|
1.8
|
28.3
|
0.7
|
|
C33
|
B:E2E201
|
2.4
|
26.2
|
0.3
|
|
C22
|
B:E2E201
|
2.5
|
27.5
|
0.3
|
|
H331
|
B:E2E201
|
2.5
|
31.4
|
0.3
|
|
H211
|
B:E2E201
|
2.7
|
32.4
|
0.3
|
|
C33
|
B:E2E201
|
2.7
|
29.5
|
0.7
|
|
C22
|
B:E2E201
|
2.8
|
26.7
|
0.7
|
|
H211
|
B:E2E201
|
2.8
|
31.5
|
0.7
|
|
HA
|
B:ALA52
|
2.8
|
26.4
|
1.0
|
|
HD22
|
C:LEU25
|
2.8
|
31.0
|
1.0
|
|
H331
|
B:E2E201
|
2.8
|
35.5
|
0.7
|
|
N21
|
B:E2E201
|
2.9
|
26.9
|
0.3
|
|
HB3
|
C:ASN21
|
2.9
|
24.4
|
1.0
|
|
HD12
|
C:LEU25
|
3.0
|
30.5
|
1.0
|
|
HG
|
C:LEU25
|
3.0
|
30.9
|
1.0
|
|
HD1
|
B:TYR58
|
3.0
|
34.1
|
1.0
|
|
N21
|
B:E2E201
|
3.0
|
26.2
|
0.7
|
|
O
|
B:MET51
|
3.1
|
21.0
|
1.0
|
|
HB3
|
B:MET51
|
3.2
|
24.8
|
1.0
|
|
C
|
B:MET51
|
3.3
|
21.6
|
1.0
|
|
HB2
|
B:MET51
|
3.5
|
24.8
|
1.0
|
|
CD2
|
C:LEU25
|
3.5
|
25.8
|
1.0
|
|
CG
|
C:LEU25
|
3.5
|
25.7
|
1.0
|
|
N
|
B:ALA52
|
3.6
|
21.3
|
1.0
|
|
CA
|
B:ALA52
|
3.6
|
22.0
|
1.0
|
|
N32
|
B:E2E201
|
3.6
|
27.6
|
0.3
|
|
CD1
|
C:LEU25
|
3.7
|
25.4
|
1.0
|
|
HD21
|
C:LEU25
|
3.7
|
31.0
|
1.0
|
|
CB
|
B:MET51
|
3.7
|
20.6
|
1.0
|
|
CD1
|
B:TYR58
|
3.7
|
28.4
|
1.0
|
|
C23
|
B:E2E201
|
3.7
|
28.6
|
0.3
|
|
HE1
|
B:TYR58
|
3.8
|
35.0
|
1.0
|
|
CB
|
C:ASN21
|
3.9
|
20.3
|
1.0
|
|
O
|
C:ASN21
|
4.0
|
20.6
|
1.0
|
|
N32
|
B:E2E201
|
4.0
|
28.7
|
0.7
|
|
HE1
|
B:MET51
|
4.0
|
31.1
|
1.0
|
|
C23
|
B:E2E201
|
4.0
|
28.4
|
0.7
|
|
HB3
|
B:ALA52
|
4.1
|
25.4
|
1.0
|
|
H
|
B:ALA52
|
4.1
|
25.6
|
1.0
|
|
C24
|
B:E2E201
|
4.1
|
30.4
|
0.3
|
|
CE1
|
B:TYR58
|
4.1
|
29.1
|
1.0
|
|
CA
|
B:MET51
|
4.2
|
18.0
|
1.0
|
|
HD13
|
C:LEU25
|
4.2
|
30.5
|
1.0
|
|
CG
|
C:ASN21
|
4.3
|
25.8
|
1.0
|
|
C20
|
B:E2E201
|
4.3
|
28.6
|
0.3
|
|
HD23
|
C:LEU25
|
4.3
|
31.0
|
1.0
|
|
CB
|
B:ALA52
|
4.4
|
21.2
|
1.0
|
|
HD11
|
C:LEU25
|
4.4
|
30.5
|
1.0
|
|
C20
|
B:E2E201
|
4.4
|
31.4
|
0.7
|
|
HB2
|
B:TYR58
|
4.4
|
28.0
|
1.0
|
|
C
|
C:ASN21
|
4.4
|
23.1
|
1.0
|
|
HB2
|
C:ASN21
|
4.5
|
24.4
|
1.0
|
|
C24
|
B:E2E201
|
4.5
|
31.4
|
0.7
|
|
H231
|
B:E2E201
|
4.5
|
34.4
|
0.3
|
|
HA
|
C:ASN21
|
4.5
|
27.0
|
1.0
|
|
CA
|
C:ASN21
|
4.5
|
22.5
|
1.0
|
|
HD22
|
C:ASN21
|
4.6
|
29.6
|
1.0
|
|
HB2
|
B:ALA52
|
4.6
|
25.4
|
1.0
|
|
ND2
|
C:ASN21
|
4.6
|
24.6
|
1.0
|
|
HA
|
B:MET51
|
4.7
|
21.7
|
1.0
|
|
C
|
B:ALA52
|
4.7
|
18.3
|
1.0
|
|
CG
|
B:TYR58
|
4.8
|
24.5
|
1.0
|
|
OD1
|
C:ASN21
|
4.8
|
25.9
|
1.0
|
|
H231
|
B:E2E201
|
4.8
|
34.1
|
0.7
|
|
H191
|
B:E2E201
|
4.8
|
31.5
|
0.7
|
|
H
|
C:LEU25
|
4.9
|
28.1
|
1.0
|
|
H191
|
B:E2E201
|
4.9
|
29.9
|
0.3
|
|
O36
|
B:E2E201
|
4.9
|
27.2
|
0.3
|
|
CE
|
B:MET51
|
4.9
|
25.9
|
1.0
|
|
HB2
|
C:ARG24
|
4.9
|
31.6
|
1.0
|
|
O
|
B:THR48
|
5.0
|
22.0
|
1.0
|
|
CB
|
C:LEU25
|
5.0
|
25.4
|
1.0
|
|
Chlorine binding site 7 out
of 9 in 7t0s
Go back to
Chlorine Binding Sites List in 7t0s
Chlorine binding site 7 out
of 9 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl201
b:21.6
occ:0.28
|
CL35
|
B:E2E201
|
0.0
|
21.6
|
0.3
|
|
CL35
|
B:E2E201
|
0.4
|
23.7
|
0.7
|
|
C34
|
B:E2E201
|
1.8
|
26.0
|
0.3
|
|
C34
|
B:E2E201
|
2.1
|
28.3
|
0.7
|
|
HD12
|
C:LEU25
|
2.7
|
30.5
|
1.0
|
|
C33
|
B:E2E201
|
2.7
|
26.2
|
0.3
|
|
HA
|
B:ALA52
|
2.7
|
26.4
|
1.0
|
|
H211
|
B:E2E201
|
2.8
|
32.4
|
0.3
|
|
HD22
|
C:LEU25
|
2.8
|
31.0
|
1.0
|
|
C22
|
B:E2E201
|
2.8
|
27.5
|
0.3
|
|
H331
|
B:E2E201
|
2.8
|
31.4
|
0.3
|
|
H211
|
B:E2E201
|
2.8
|
31.5
|
0.7
|
|
HB3
|
B:MET51
|
2.9
|
24.8
|
1.0
|
|
O
|
B:MET51
|
2.9
|
21.0
|
1.0
|
|
HD1
|
B:TYR58
|
3.0
|
34.1
|
1.0
|
|
HG
|
C:LEU25
|
3.0
|
30.9
|
1.0
|
|
C22
|
B:E2E201
|
3.0
|
26.7
|
0.7
|
|
N21
|
B:E2E201
|
3.1
|
26.9
|
0.3
|
|
C
|
B:MET51
|
3.1
|
21.6
|
1.0
|
|
HB3
|
C:ASN21
|
3.1
|
24.4
|
1.0
|
|
C33
|
B:E2E201
|
3.1
|
29.5
|
0.7
|
|
HB2
|
B:MET51
|
3.1
|
24.8
|
1.0
|
|
H331
|
B:E2E201
|
3.1
|
35.5
|
0.7
|
|
N21
|
B:E2E201
|
3.2
|
26.2
|
0.7
|
|
N
|
B:ALA52
|
3.3
|
21.3
|
1.0
|
|
CB
|
B:MET51
|
3.4
|
20.6
|
1.0
|
|
CA
|
B:ALA52
|
3.4
|
22.0
|
1.0
|
|
CD2
|
C:LEU25
|
3.5
|
25.8
|
1.0
|
|
CG
|
C:LEU25
|
3.5
|
25.7
|
1.0
|
|
CD1
|
C:LEU25
|
3.5
|
25.4
|
1.0
|
|
CD1
|
B:TYR58
|
3.7
|
28.4
|
1.0
|
|
HD21
|
C:LEU25
|
3.8
|
31.0
|
1.0
|
|
H
|
B:ALA52
|
3.8
|
25.6
|
1.0
|
|
HE1
|
B:MET51
|
3.8
|
31.1
|
1.0
|
|
CA
|
B:MET51
|
3.9
|
18.0
|
1.0
|
|
HB3
|
B:ALA52
|
3.9
|
25.4
|
1.0
|
|
HE1
|
B:TYR58
|
4.0
|
35.0
|
1.0
|
|
N32
|
B:E2E201
|
4.0
|
27.6
|
0.3
|
|
HD13
|
C:LEU25
|
4.0
|
30.5
|
1.0
|
|
CB
|
C:ASN21
|
4.0
|
20.3
|
1.0
|
|
C23
|
B:E2E201
|
4.0
|
28.6
|
0.3
|
|
O
|
C:ASN21
|
4.1
|
20.6
|
1.0
|
|
HD11
|
C:LEU25
|
4.2
|
30.5
|
1.0
|
|
CB
|
B:ALA52
|
4.2
|
21.2
|
1.0
|
|
CE1
|
B:TYR58
|
4.3
|
29.1
|
1.0
|
|
HD23
|
C:LEU25
|
4.3
|
31.0
|
1.0
|
|
HB2
|
B:TYR58
|
4.3
|
28.0
|
1.0
|
|
N32
|
B:E2E201
|
4.3
|
28.7
|
0.7
|
|
C23
|
B:E2E201
|
4.3
|
28.4
|
0.7
|
|
C20
|
B:E2E201
|
4.4
|
28.6
|
0.3
|
|
HA
|
B:MET51
|
4.4
|
21.7
|
1.0
|
|
C24
|
B:E2E201
|
4.5
|
30.4
|
0.3
|
|
C20
|
B:E2E201
|
4.5
|
31.4
|
0.7
|
|
CG
|
C:ASN21
|
4.5
|
25.8
|
1.0
|
|
C
|
C:ASN21
|
4.5
|
23.1
|
1.0
|
|
HB2
|
B:ALA52
|
4.5
|
25.4
|
1.0
|
|
HB2
|
C:ASN21
|
4.6
|
24.4
|
1.0
|
|
C
|
B:ALA52
|
4.6
|
18.3
|
1.0
|
|
O
|
B:THR48
|
4.6
|
22.0
|
1.0
|
|
CE
|
B:MET51
|
4.7
|
25.9
|
1.0
|
|
HD22
|
C:ASN21
|
4.7
|
29.6
|
1.0
|
|
CG
|
B:MET51
|
4.7
|
22.2
|
1.0
|
|
CA
|
C:ASN21
|
4.8
|
22.5
|
1.0
|
|
CG
|
B:TYR58
|
4.8
|
24.5
|
1.0
|
|
H231
|
B:E2E201
|
4.8
|
34.4
|
0.3
|
|
ND2
|
C:ASN21
|
4.8
|
24.6
|
1.0
|
|
H191
|
B:E2E201
|
4.8
|
31.5
|
0.7
|
|
HA
|
C:ASN21
|
4.8
|
27.0
|
1.0
|
|
C24
|
B:E2E201
|
4.8
|
31.4
|
0.7
|
|
H191
|
B:E2E201
|
4.9
|
29.9
|
0.3
|
|
CB
|
C:LEU25
|
4.9
|
25.4
|
1.0
|
|
SD
|
B:MET51
|
5.0
|
28.1
|
1.0
|
|
CB
|
B:TYR58
|
5.0
|
23.3
|
1.0
|
|
HA
|
B:TYR58
|
5.0
|
26.2
|
1.0
|
|
N
|
B:MET51
|
5.0
|
21.1
|
1.0
|
|
Chlorine binding site 8 out
of 9 in 7t0s
Go back to
Chlorine Binding Sites List in 7t0s
Chlorine binding site 8 out
of 9 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl201
b:22.1
occ:0.84
|
CL09
|
C:E2E201
|
0.0
|
22.1
|
0.8
|
|
C08
|
C:E2E201
|
1.8
|
26.3
|
0.8
|
|
HB3
|
B:ASP17
|
2.7
|
30.7
|
1.0
|
|
C07
|
C:E2E201
|
2.7
|
23.1
|
0.8
|
|
HB2
|
B:ASP17
|
2.8
|
30.7
|
1.0
|
|
C10
|
C:E2E201
|
2.8
|
24.9
|
0.8
|
|
HG21
|
B:VAL18
|
2.8
|
25.3
|
1.0
|
|
H071
|
C:E2E201
|
2.8
|
27.8
|
0.8
|
|
O11
|
C:E2E201
|
3.0
|
22.5
|
0.8
|
|
H111
|
C:E2E201
|
3.1
|
27.0
|
0.8
|
|
CB
|
B:ASP17
|
3.2
|
25.6
|
1.0
|
|
ND1
|
B:HIS14
|
3.2
|
21.8
|
1.0
|
|
HE1
|
B:HIS14
|
3.3
|
25.1
|
1.0
|
|
CE1
|
B:HIS14
|
3.4
|
20.9
|
1.0
|
|
HA
|
B:HIS14
|
3.5
|
29.7
|
1.0
|
|
O
|
B:HIS14
|
3.6
|
21.2
|
1.0
|
|
H
|
B:VAL18
|
3.7
|
23.3
|
1.0
|
|
N
|
B:VAL18
|
3.7
|
19.4
|
1.0
|
|
CG2
|
B:VAL18
|
3.8
|
21.1
|
1.0
|
|
HA
|
C:CYS53
|
3.8
|
22.2
|
1.0
|
|
HG23
|
B:VAL18
|
3.9
|
25.3
|
1.0
|
|
C
|
B:ASP17
|
3.9
|
19.1
|
1.0
|
|
HA
|
B:VAL18
|
3.9
|
19.0
|
1.0
|
|
O
|
C:ALA52
|
3.9
|
21.0
|
1.0
|
|
C06
|
C:E2E201
|
4.0
|
24.7
|
0.8
|
|
C12
|
C:E2E201
|
4.0
|
24.2
|
0.8
|
|
O
|
B:HOH336
|
4.1
|
44.5
|
0.5
|
|
CA
|
B:ASP17
|
4.1
|
23.6
|
1.0
|
|
CG
|
B:HIS14
|
4.2
|
20.6
|
1.0
|
|
CA
|
B:VAL18
|
4.3
|
15.8
|
1.0
|
|
CG
|
B:ASP17
|
4.3
|
31.8
|
1.0
|
|
CA
|
B:HIS14
|
4.3
|
24.7
|
1.0
|
|
OD2
|
B:ASP17
|
4.3
|
37.1
|
1.0
|
|
NE2
|
B:HIS14
|
4.4
|
21.3
|
1.0
|
|
C
|
B:HIS14
|
4.4
|
22.0
|
1.0
|
|
HG22
|
B:VAL18
|
4.4
|
25.3
|
1.0
|
|
O
|
B:ASP17
|
4.5
|
20.0
|
1.0
|
|
C16
|
C:E2E201
|
4.5
|
24.3
|
0.8
|
|
HD22
|
B:ASN21
|
4.6
|
32.1
|
1.0
|
|
CB
|
B:VAL18
|
4.7
|
19.4
|
1.0
|
|
H
|
B:ASP17
|
4.7
|
28.1
|
1.0
|
|
CD2
|
B:HIS14
|
4.7
|
21.4
|
1.0
|
|
CB
|
B:HIS14
|
4.8
|
23.6
|
1.0
|
|
O
|
B:HOH333
|
4.8
|
51.0
|
1.0
|
|
CA
|
C:CYS53
|
4.8
|
18.5
|
1.0
|
|
SG
|
C:CYS53
|
4.9
|
20.0
|
1.0
|
|
N
|
B:ASP17
|
4.9
|
23.4
|
1.0
|
|
C
|
C:ALA52
|
5.0
|
19.9
|
1.0
|
|
HA
|
B:ASP17
|
5.0
|
28.4
|
1.0
|
|
HE2
|
B:HIS14
|
5.0
|
25.6
|
1.0
|
|
Chlorine binding site 9 out
of 9 in 7t0s
Go back to
Chlorine Binding Sites List in 7t0s
Chlorine binding site 9 out
of 9 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl201
b:28.5
occ:0.84
|
CL35
|
C:E2E201
|
0.0
|
28.5
|
0.8
|
|
C34
|
C:E2E201
|
1.8
|
36.6
|
0.8
|
|
HB3
|
B:ASN21
|
2.6
|
27.3
|
1.0
|
|
C22
|
C:E2E201
|
2.8
|
36.0
|
0.8
|
|
C33
|
C:E2E201
|
2.8
|
41.1
|
0.8
|
|
HA
|
C:ALA52
|
2.8
|
22.8
|
1.0
|
|
H211
|
C:E2E201
|
2.8
|
36.5
|
0.8
|
|
HG
|
B:LEU25
|
2.8
|
27.1
|
1.0
|
|
H331
|
C:E2E201
|
2.8
|
49.4
|
0.8
|
|
HD23
|
B:LEU25
|
3.0
|
31.0
|
1.0
|
|
N21
|
C:E2E201
|
3.0
|
30.3
|
0.8
|
|
HD11
|
B:LEU25
|
3.1
|
25.9
|
1.0
|
|
O
|
C:MET51
|
3.2
|
22.6
|
1.0
|
|
HD1
|
C:TYR58
|
3.3
|
39.1
|
1.0
|
|
HB3
|
C:MET51
|
3.4
|
27.4
|
1.0
|
|
HD22
|
B:LEU25
|
3.4
|
31.0
|
1.0
|
|
CG
|
B:LEU25
|
3.5
|
22.6
|
1.0
|
|
CD2
|
B:LEU25
|
3.5
|
25.8
|
1.0
|
|
C
|
C:MET51
|
3.5
|
23.3
|
1.0
|
|
CA
|
C:ALA52
|
3.7
|
19.0
|
1.0
|
|
CB
|
B:ASN21
|
3.7
|
22.7
|
1.0
|
|
CD1
|
B:LEU25
|
3.7
|
21.5
|
1.0
|
|
N
|
C:ALA52
|
3.8
|
20.9
|
1.0
|
|
HB2
|
C:ALA52
|
3.8
|
28.1
|
1.0
|
|
O
|
B:ASN21
|
3.8
|
19.5
|
1.0
|
|
HB2
|
C:MET51
|
4.0
|
27.4
|
1.0
|
|
CD1
|
C:TYR58
|
4.0
|
32.5
|
1.0
|
|
N32
|
C:E2E201
|
4.0
|
40.6
|
0.8
|
|
C23
|
C:E2E201
|
4.0
|
38.7
|
0.8
|
|
CG
|
B:ASN21
|
4.1
|
27.3
|
1.0
|
|
HD12
|
B:LEU25
|
4.1
|
25.9
|
1.0
|
|
HE1
|
C:TYR58
|
4.1
|
44.3
|
1.0
|
|
CB
|
C:MET51
|
4.1
|
22.8
|
1.0
|
|
C
|
B:ASN21
|
4.2
|
19.5
|
1.0
|
|
C20
|
C:E2E201
|
4.2
|
29.5
|
0.8
|
|
CB
|
C:ALA52
|
4.3
|
23.4
|
1.0
|
|
HA
|
B:ASN21
|
4.3
|
23.9
|
1.0
|
|
CA
|
B:ASN21
|
4.3
|
19.9
|
1.0
|
|
HD22
|
B:ASN21
|
4.3
|
32.1
|
1.0
|
|
HB2
|
B:ASN21
|
4.4
|
27.3
|
1.0
|
|
ND2
|
B:ASN21
|
4.4
|
26.7
|
1.0
|
|
CE1
|
C:TYR58
|
4.4
|
36.9
|
1.0
|
|
HB2
|
C:TYR58
|
4.5
|
34.1
|
1.0
|
|
HB2
|
B:ARG24
|
4.5
|
31.9
|
1.0
|
|
H
|
C:ALA52
|
4.5
|
25.1
|
1.0
|
|
CA
|
C:MET51
|
4.5
|
21.7
|
1.0
|
|
C24
|
C:E2E201
|
4.5
|
40.0
|
0.8
|
|
HD21
|
B:LEU25
|
4.5
|
31.0
|
1.0
|
|
HE2
|
C:MET51
|
4.6
|
35.4
|
1.0
|
|
HD13
|
B:LEU25
|
4.7
|
25.9
|
1.0
|
|
H191
|
C:E2E201
|
4.7
|
28.1
|
0.8
|
|
OD1
|
B:ASN21
|
4.7
|
26.4
|
1.0
|
|
H
|
B:LEU25
|
4.7
|
27.8
|
1.0
|
|
HB1
|
C:ALA52
|
4.7
|
28.1
|
1.0
|
|
H231
|
C:E2E201
|
4.8
|
46.5
|
0.8
|
|
C
|
C:ALA52
|
4.9
|
19.9
|
1.0
|
|
CB
|
B:LEU25
|
4.9
|
21.0
|
1.0
|
|
O36
|
C:E2E201
|
4.9
|
29.0
|
0.8
|
|
CG
|
C:TYR58
|
4.9
|
30.6
|
1.0
|
|
Reference:
D.A.Kuntz,
G.G.Prive.
Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864 To Be Published.
Page generated: Tue Jul 30 04:21:59 2024
|
