Chlorine in PDB 7t0u: Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387
Protein crystallography data
The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387, PDB code: 7t0u
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)
|
36.27 /
1.49
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
55.484,
72.545,
67.488,
90,
109.15,
90
|
R / Rfree (%)
|
14.1 /
18
|
Other elements in 7t0u:
The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387 also contains other interesting chemical elements:
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
11;
Binding sites:
The binding sites of Chlorine atom in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387
(pdb code 7t0u). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the
Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387, PDB code: 7t0u:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 11 in 7t0u
Go back to
Chlorine Binding Sites List in 7t0u
Chlorine binding site 1 out
of 11 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387
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-12387 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl203
b:31.1
occ:0.58
|
HE
|
A:ARG28
|
2.9
|
36.9
|
1.0
|
HH21
|
A:ARG28
|
3.3
|
34.9
|
1.0
|
H351
|
B:E3I201
|
3.4
|
13.7
|
0.9
|
HG2
|
A:ARG24
|
3.4
|
12.9
|
1.0
|
O
|
C:HOH318
|
3.7
|
20.7
|
1.0
|
NE
|
A:ARG28
|
3.7
|
30.7
|
1.0
|
OG
|
A:SER27
|
3.7
|
20.6
|
0.6
|
H352
|
B:E3I201
|
3.8
|
13.7
|
0.9
|
HG
|
A:SER27
|
3.9
|
24.7
|
0.6
|
C35
|
B:E3I201
|
4.0
|
11.4
|
0.9
|
O
|
A:HOH356
|
4.0
|
33.8
|
0.6
|
H361
|
B:E3I201
|
4.0
|
12.8
|
0.9
|
NH2
|
A:ARG28
|
4.0
|
29.1
|
1.0
|
HB3
|
A:ARG24
|
4.1
|
12.5
|
1.0
|
H341
|
B:E3I201
|
4.1
|
19.6
|
0.9
|
HG3
|
A:ARG28
|
4.1
|
30.2
|
1.0
|
HA
|
A:ARG24
|
4.1
|
12.3
|
1.0
|
HB2
|
A:SER27
|
4.2
|
24.9
|
0.5
|
CG
|
A:ARG24
|
4.3
|
10.8
|
1.0
|
CZ
|
A:ARG28
|
4.4
|
28.9
|
1.0
|
O
|
A:HOH374
|
4.4
|
43.1
|
1.0
|
HG2
|
A:ARG28
|
4.5
|
30.2
|
1.0
|
C36
|
B:E3I201
|
4.5
|
10.7
|
0.9
|
CB
|
A:ARG24
|
4.6
|
10.4
|
1.0
|
H342
|
B:E3I201
|
4.6
|
19.6
|
0.9
|
CG
|
A:ARG28
|
4.7
|
25.2
|
1.0
|
OD1
|
C:ASP88
|
4.7
|
25.5
|
1.0
|
CD
|
A:ARG28
|
4.7
|
29.0
|
1.0
|
C34
|
B:E3I201
|
4.7
|
16.4
|
0.9
|
HB3
|
A:SER27
|
4.7
|
24.9
|
0.5
|
HH22
|
A:ARG28
|
4.8
|
34.9
|
1.0
|
HE
|
A:ARG24
|
4.8
|
16.8
|
1.0
|
CA
|
A:ARG24
|
4.8
|
10.3
|
1.0
|
H362
|
B:E3I201
|
4.9
|
12.8
|
0.9
|
H311
|
B:E3I201
|
4.9
|
16.1
|
0.9
|
HD2
|
A:ARG28
|
4.9
|
34.8
|
1.0
|
CB
|
A:SER27
|
4.9
|
20.8
|
0.5
|
CB
|
A:SER27
|
4.9
|
19.7
|
0.6
|
O
|
A:ARG24
|
4.9
|
11.8
|
1.0
|
HG3
|
A:ARG24
|
4.9
|
12.9
|
1.0
|
HD3
|
A:ARG24
|
4.9
|
13.7
|
1.0
|
HB2
|
A:SER27
|
5.0
|
23.6
|
0.6
|
|
Chlorine binding site 2 out
of 11 in 7t0u
Go back to
Chlorine Binding Sites List in 7t0u
Chlorine binding site 2 out
of 11 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387
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-12387 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl204
b:12.6
occ:0.96
|
CL10
|
A:E3I204
|
0.0
|
12.6
|
1.0
|
C09
|
A:E3I204
|
1.7
|
9.2
|
1.0
|
C08
|
A:E3I204
|
2.6
|
8.4
|
1.0
|
H081
|
A:E3I204
|
2.7
|
10.1
|
1.0
|
C11
|
A:E3I204
|
2.7
|
11.1
|
1.0
|
H121
|
A:E3I204
|
2.7
|
14.9
|
1.0
|
HB2
|
B:ASP17
|
3.0
|
17.4
|
1.0
|
O12
|
A:E3I204
|
3.0
|
12.4
|
1.0
|
HB3
|
B:ASP17
|
3.0
|
17.4
|
1.0
|
HG23
|
B:VAL18
|
3.1
|
13.0
|
1.0
|
ND1
|
B:HIS14
|
3.3
|
9.4
|
1.0
|
CB
|
B:ASP17
|
3.4
|
14.5
|
1.0
|
HE1
|
B:HIS14
|
3.5
|
12.2
|
1.0
|
HA
|
B:HIS14
|
3.6
|
14.1
|
1.0
|
HG22
|
B:VAL18
|
3.6
|
13.0
|
1.0
|
CE1
|
B:HIS14
|
3.6
|
10.2
|
1.0
|
O
|
B:HIS14
|
3.7
|
10.6
|
1.0
|
H
|
B:VAL18
|
3.7
|
12.2
|
1.0
|
CG2
|
B:VAL18
|
3.8
|
10.8
|
1.0
|
HA
|
A:CYS53
|
3.8
|
10.8
|
1.0
|
N
|
B:VAL18
|
3.8
|
10.1
|
1.0
|
O
|
B:HOH322
|
3.9
|
24.9
|
1.0
|
C07
|
A:E3I204
|
4.0
|
9.2
|
1.0
|
HA
|
B:VAL18
|
4.0
|
11.8
|
1.0
|
C13
|
A:E3I204
|
4.0
|
9.7
|
1.0
|
O
|
A:ALA52
|
4.0
|
10.0
|
1.0
|
C
|
B:ASP17
|
4.0
|
11.1
|
1.0
|
CG
|
B:HIS14
|
4.2
|
10.1
|
1.0
|
O
|
A:HOH349
|
4.2
|
30.1
|
1.0
|
CA
|
B:HIS14
|
4.3
|
11.8
|
1.0
|
CA
|
B:ASP17
|
4.4
|
11.5
|
1.0
|
CA
|
B:VAL18
|
4.4
|
9.8
|
1.0
|
HG21
|
B:VAL18
|
4.4
|
13.0
|
1.0
|
C
|
B:HIS14
|
4.4
|
10.3
|
1.0
|
C17
|
A:E3I204
|
4.5
|
10.1
|
1.0
|
OD1
|
B:ASP17
|
4.5
|
20.5
|
1.0
|
CG
|
B:ASP17
|
4.5
|
18.6
|
1.0
|
O
|
B:ASP17
|
4.6
|
11.8
|
1.0
|
NE2
|
B:HIS14
|
4.6
|
10.0
|
1.0
|
HD22
|
B:ASN21
|
4.7
|
14.8
|
1.0
|
CB
|
B:VAL18
|
4.7
|
10.2
|
1.0
|
CA
|
A:CYS53
|
4.7
|
9.0
|
1.0
|
O
|
B:HOH368
|
4.8
|
43.8
|
1.0
|
SG
|
A:CYS53
|
4.8
|
11.9
|
1.0
|
CB
|
B:HIS14
|
4.8
|
10.6
|
1.0
|
H181
|
A:E3I204
|
4.8
|
10.6
|
1.0
|
H
|
B:ASP17
|
4.9
|
13.7
|
1.0
|
H161
|
A:E3I204
|
4.9
|
15.5
|
1.0
|
HB2
|
B:HIS14
|
4.9
|
12.7
|
1.0
|
CD2
|
B:HIS14
|
4.9
|
8.9
|
1.0
|
C
|
A:ALA52
|
5.0
|
9.0
|
1.0
|
|
Chlorine binding site 3 out
of 11 in 7t0u
Go back to
Chlorine Binding Sites List in 7t0u
Chlorine binding site 3 out
of 11 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387
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-12387 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl204
b:9.9
occ:0.96
|
CL40
|
A:E3I204
|
0.0
|
9.9
|
1.0
|
C39
|
A:E3I204
|
1.7
|
10.9
|
1.0
|
H221
|
A:E3I204
|
2.6
|
11.3
|
1.0
|
C38
|
A:E3I204
|
2.7
|
11.5
|
1.0
|
C23
|
A:E3I204
|
2.7
|
9.7
|
1.0
|
H381
|
A:E3I204
|
2.7
|
13.8
|
1.0
|
HA
|
A:ALA52
|
2.8
|
10.8
|
1.0
|
HB3
|
B:ASN21
|
2.8
|
11.2
|
1.0
|
N22
|
A:E3I204
|
3.0
|
9.4
|
1.0
|
HB3
|
A:MET51
|
3.1
|
15.5
|
1.0
|
HG
|
B:LEU25
|
3.1
|
14.4
|
1.0
|
HD21
|
B:LEU25
|
3.1
|
15.8
|
1.0
|
HD1
|
A:TYR58
|
3.2
|
19.2
|
1.0
|
O
|
A:MET51
|
3.2
|
9.4
|
1.0
|
HD11
|
B:LEU25
|
3.3
|
14.8
|
1.0
|
C
|
A:MET51
|
3.4
|
8.8
|
1.0
|
CA
|
A:ALA52
|
3.5
|
9.0
|
1.0
|
N
|
A:ALA52
|
3.6
|
8.7
|
1.0
|
CG
|
B:LEU25
|
3.7
|
12.0
|
1.0
|
CB
|
B:ASN21
|
3.7
|
9.4
|
1.0
|
CD2
|
B:LEU25
|
3.8
|
13.1
|
1.0
|
HE1
|
A:TYR58
|
3.8
|
22.0
|
1.0
|
CD1
|
A:TYR58
|
3.8
|
16.0
|
1.0
|
CB
|
A:MET51
|
3.9
|
12.9
|
1.0
|
CD1
|
B:LEU25
|
3.9
|
12.3
|
1.0
|
N37
|
A:E3I204
|
3.9
|
10.6
|
1.0
|
HE2
|
A:MET51
|
3.9
|
24.3
|
1.0
|
HB2
|
A:ALA52
|
3.9
|
11.5
|
1.0
|
O
|
B:ASN21
|
4.0
|
10.6
|
1.0
|
HD23
|
B:LEU25
|
4.0
|
15.8
|
1.0
|
HB2
|
A:MET51
|
4.0
|
15.5
|
1.0
|
C24
|
A:E3I204
|
4.0
|
10.5
|
1.0
|
H
|
A:ALA52
|
4.1
|
10.5
|
1.0
|
CE1
|
A:TYR58
|
4.1
|
18.4
|
1.0
|
CG
|
B:ASN21
|
4.2
|
11.0
|
1.0
|
HB2
|
B:ASN21
|
4.3
|
11.2
|
1.0
|
HD12
|
B:LEU25
|
4.3
|
14.8
|
1.0
|
CA
|
A:MET51
|
4.3
|
9.7
|
1.0
|
CB
|
A:ALA52
|
4.3
|
9.6
|
1.0
|
C21
|
A:E3I204
|
4.3
|
10.4
|
1.0
|
C
|
B:ASN21
|
4.4
|
9.6
|
1.0
|
HA
|
B:ASN21
|
4.5
|
11.8
|
1.0
|
C25
|
A:E3I204
|
4.5
|
11.8
|
1.0
|
HD22
|
B:ASN21
|
4.5
|
14.8
|
1.0
|
CA
|
B:ASN21
|
4.5
|
9.8
|
1.0
|
ND2
|
B:ASN21
|
4.6
|
12.3
|
1.0
|
H201
|
A:E3I204
|
4.6
|
12.1
|
1.0
|
HB2
|
A:TYR58
|
4.6
|
14.8
|
1.0
|
HB1
|
A:ALA52
|
4.6
|
11.5
|
1.0
|
HD22
|
B:LEU25
|
4.6
|
15.8
|
1.0
|
C
|
A:ALA52
|
4.7
|
9.0
|
1.0
|
HD13
|
B:LEU25
|
4.7
|
14.8
|
1.0
|
HA
|
A:MET51
|
4.7
|
11.6
|
1.0
|
H241
|
A:E3I204
|
4.8
|
12.6
|
1.0
|
OD1
|
B:ASN21
|
4.8
|
12.1
|
1.0
|
CE
|
A:MET51
|
4.8
|
20.3
|
1.0
|
CG
|
A:TYR58
|
4.9
|
14.7
|
1.0
|
O
|
A:THR48
|
5.0
|
10.9
|
1.0
|
|
Chlorine binding site 4 out
of 11 in 7t0u
Go back to
Chlorine Binding Sites List in 7t0u
Chlorine binding site 4 out
of 11 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387
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-12387 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl201
b:11.8
occ:0.92
|
CL10
|
B:E3I201
|
0.0
|
11.8
|
0.9
|
C09
|
B:E3I201
|
1.7
|
8.9
|
0.9
|
C08
|
B:E3I201
|
2.6
|
8.3
|
0.9
|
H081
|
B:E3I201
|
2.7
|
10.0
|
0.9
|
C11
|
B:E3I201
|
2.7
|
10.6
|
0.9
|
H121
|
B:E3I201
|
2.8
|
14.9
|
0.9
|
HB2
|
A:ASP17
|
3.0
|
17.7
|
1.0
|
O12
|
B:E3I201
|
3.0
|
12.4
|
0.9
|
HG23
|
A:VAL18
|
3.0
|
12.9
|
1.0
|
HB3
|
A:ASP17
|
3.0
|
17.7
|
1.0
|
ND1
|
A:HIS14
|
3.2
|
11.8
|
1.0
|
CB
|
A:ASP17
|
3.4
|
14.8
|
1.0
|
HE1
|
A:HIS14
|
3.5
|
15.3
|
1.0
|
HA
|
A:HIS14
|
3.5
|
13.2
|
1.0
|
O
|
A:HIS14
|
3.6
|
11.1
|
1.0
|
CE1
|
A:HIS14
|
3.6
|
12.7
|
1.0
|
HG22
|
A:VAL18
|
3.6
|
12.9
|
1.0
|
H
|
A:VAL18
|
3.7
|
12.1
|
1.0
|
CG2
|
A:VAL18
|
3.8
|
10.8
|
1.0
|
N
|
A:VAL18
|
3.8
|
10.1
|
1.0
|
HA
|
B:CYS53
|
3.8
|
11.1
|
1.0
|
O
|
A:HOH323
|
3.9
|
21.5
|
1.0
|
C07
|
B:E3I201
|
4.0
|
8.6
|
0.9
|
HA
|
A:VAL18
|
4.0
|
11.3
|
1.0
|
C13
|
B:E3I201
|
4.0
|
8.9
|
0.9
|
C
|
A:ASP17
|
4.1
|
10.7
|
1.0
|
O
|
B:ALA52
|
4.1
|
9.8
|
1.0
|
CG
|
A:HIS14
|
4.2
|
11.5
|
1.0
|
CA
|
A:HIS14
|
4.3
|
11.0
|
1.0
|
CA
|
A:ASP17
|
4.4
|
12.4
|
1.0
|
CA
|
A:VAL18
|
4.4
|
9.5
|
1.0
|
C
|
A:HIS14
|
4.4
|
10.5
|
1.0
|
HG21
|
A:VAL18
|
4.4
|
12.9
|
1.0
|
C17
|
B:E3I201
|
4.4
|
9.8
|
0.9
|
O
|
A:HOH383
|
4.5
|
33.0
|
0.5
|
OD1
|
A:ASP17
|
4.5
|
21.6
|
1.0
|
CG
|
A:ASP17
|
4.6
|
19.4
|
1.0
|
NE2
|
A:HIS14
|
4.6
|
12.1
|
1.0
|
O
|
A:ASP17
|
4.6
|
11.4
|
1.0
|
HD22
|
A:ASN21
|
4.7
|
13.9
|
1.0
|
CB
|
A:VAL18
|
4.7
|
9.8
|
1.0
|
CB
|
A:HIS14
|
4.7
|
11.5
|
1.0
|
SG
|
B:CYS53
|
4.8
|
11.9
|
1.0
|
CA
|
B:CYS53
|
4.8
|
9.2
|
1.0
|
H181
|
B:E3I201
|
4.8
|
10.1
|
0.9
|
HB2
|
A:HIS14
|
4.9
|
13.8
|
1.0
|
H
|
A:ASP17
|
4.9
|
13.9
|
1.0
|
O
|
A:HOH365
|
4.9
|
29.6
|
1.0
|
CD2
|
A:HIS14
|
4.9
|
10.4
|
1.0
|
H161
|
B:E3I201
|
4.9
|
14.1
|
0.9
|
C
|
B:ALA52
|
5.0
|
8.4
|
1.0
|
|
Chlorine binding site 5 out
of 11 in 7t0u
Go back to
Chlorine Binding Sites List in 7t0u
Chlorine binding site 5 out
of 11 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387
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-12387 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl201
b:9.1
occ:0.92
|
CL40
|
B:E3I201
|
0.0
|
9.1
|
0.9
|
C39
|
B:E3I201
|
1.7
|
7.7
|
0.9
|
H221
|
B:E3I201
|
2.6
|
9.5
|
0.9
|
C38
|
B:E3I201
|
2.7
|
8.2
|
0.9
|
C23
|
B:E3I201
|
2.7
|
7.7
|
0.9
|
H381
|
B:E3I201
|
2.7
|
9.8
|
0.9
|
HA
|
B:ALA52
|
2.7
|
10.1
|
1.0
|
HB3
|
A:ASN21
|
2.8
|
9.6
|
1.0
|
N22
|
B:E3I201
|
3.0
|
8.0
|
0.9
|
HD21
|
A:LEU25
|
3.0
|
13.7
|
1.0
|
HB3
|
B:MET51
|
3.0
|
13.5
|
1.0
|
HG
|
A:LEU25
|
3.1
|
12.8
|
1.0
|
HD11
|
A:LEU25
|
3.1
|
13.8
|
1.0
|
HD1
|
B:TYR58
|
3.2
|
14.2
|
1.0
|
O
|
B:MET51
|
3.2
|
9.7
|
1.0
|
C
|
B:MET51
|
3.4
|
8.7
|
1.0
|
N
|
B:ALA52
|
3.5
|
8.6
|
1.0
|
CA
|
B:ALA52
|
3.5
|
8.4
|
1.0
|
CG
|
A:LEU25
|
3.7
|
10.6
|
1.0
|
CD2
|
A:LEU25
|
3.7
|
11.4
|
1.0
|
CB
|
A:ASN21
|
3.8
|
8.0
|
1.0
|
CB
|
B:MET51
|
3.8
|
11.3
|
1.0
|
HB2
|
B:MET51
|
3.8
|
13.5
|
1.0
|
CD1
|
A:LEU25
|
3.8
|
11.5
|
1.0
|
CD1
|
B:TYR58
|
3.8
|
11.8
|
1.0
|
HE1
|
B:TYR58
|
3.9
|
17.2
|
1.0
|
O
|
A:ASN21
|
3.9
|
9.4
|
1.0
|
N37
|
B:E3I201
|
3.9
|
8.4
|
0.9
|
HD23
|
A:LEU25
|
3.9
|
13.7
|
1.0
|
HB2
|
B:ALA52
|
4.0
|
10.3
|
1.0
|
C24
|
B:E3I201
|
4.0
|
8.3
|
0.9
|
H
|
B:ALA52
|
4.0
|
10.4
|
1.0
|
HE2
|
B:MET51
|
4.0
|
18.9
|
1.0
|
CE1
|
B:TYR58
|
4.2
|
14.4
|
1.0
|
HD12
|
A:LEU25
|
4.2
|
13.8
|
1.0
|
CA
|
B:MET51
|
4.2
|
10.0
|
1.0
|
HB2
|
A:ASN21
|
4.3
|
9.6
|
1.0
|
CG
|
A:ASN21
|
4.3
|
9.6
|
1.0
|
CB
|
B:ALA52
|
4.3
|
8.6
|
1.0
|
C
|
A:ASN21
|
4.3
|
8.2
|
1.0
|
C21
|
B:E3I201
|
4.3
|
8.9
|
0.9
|
C25
|
B:E3I201
|
4.4
|
8.2
|
0.9
|
HA
|
A:ASN21
|
4.5
|
9.4
|
1.0
|
CA
|
A:ASN21
|
4.5
|
7.8
|
1.0
|
HD22
|
A:ASN21
|
4.5
|
13.9
|
1.0
|
HD22
|
A:LEU25
|
4.5
|
13.7
|
1.0
|
HB2
|
B:TYR58
|
4.6
|
12.1
|
1.0
|
HD13
|
A:LEU25
|
4.6
|
13.8
|
1.0
|
H202
|
B:E3I201
|
4.6
|
10.8
|
0.9
|
ND2
|
A:ASN21
|
4.6
|
11.6
|
1.0
|
HB1
|
B:ALA52
|
4.7
|
10.3
|
1.0
|
C
|
B:ALA52
|
4.7
|
8.4
|
1.0
|
HA
|
B:MET51
|
4.7
|
12.0
|
1.0
|
H241
|
B:E3I201
|
4.7
|
10.0
|
0.9
|
CG
|
B:TYR58
|
4.8
|
10.5
|
1.0
|
OD1
|
A:ASN21
|
4.9
|
11.2
|
1.0
|
O
|
B:THR48
|
4.9
|
9.5
|
1.0
|
CE
|
B:MET51
|
4.9
|
15.8
|
1.0
|
H
|
A:LEU25
|
5.0
|
12.6
|
1.0
|
|
Chlorine binding site 6 out
of 11 in 7t0u
Go back to
Chlorine Binding Sites List in 7t0u
Chlorine binding site 6 out
of 11 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387
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-12387 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl202
b:31.7
occ:0.45
|
HE
|
B:ARG24
|
2.9
|
20.6
|
1.0
|
H352
|
A:E3I204
|
3.4
|
20.9
|
1.0
|
HH12
|
B:ARG28
|
3.4
|
43.2
|
1.0
|
HG2
|
B:ARG24
|
3.4
|
16.6
|
1.0
|
HH21
|
B:ARG24
|
3.5
|
26.4
|
1.0
|
NE
|
B:ARG24
|
3.6
|
17.2
|
1.0
|
HH22
|
B:ARG28
|
3.6
|
42.4
|
1.0
|
H351
|
A:E3I204
|
3.7
|
20.9
|
1.0
|
H311
|
A:E3I204
|
3.8
|
28.5
|
1.0
|
H342
|
A:E3I204
|
3.9
|
33.1
|
1.0
|
C35
|
A:E3I204
|
4.0
|
17.4
|
1.0
|
NH2
|
B:ARG24
|
4.1
|
22.1
|
1.0
|
NH1
|
B:ARG28
|
4.2
|
36.0
|
1.0
|
CG
|
B:ARG24
|
4.3
|
13.8
|
1.0
|
CZ
|
B:ARG24
|
4.3
|
19.7
|
1.0
|
NH2
|
B:ARG28
|
4.4
|
35.3
|
1.0
|
CD
|
B:ARG24
|
4.4
|
14.8
|
1.0
|
C31
|
A:E3I204
|
4.5
|
23.8
|
1.0
|
C34
|
A:E3I204
|
4.5
|
27.6
|
1.0
|
HD3
|
B:ARG24
|
4.6
|
17.8
|
1.0
|
HG3
|
B:ARG24
|
4.7
|
16.6
|
1.0
|
H341
|
A:E3I204
|
4.8
|
33.1
|
1.0
|
HH11
|
B:ARG28
|
4.8
|
43.2
|
1.0
|
CZ
|
B:ARG28
|
4.8
|
34.3
|
1.0
|
HH22
|
B:ARG24
|
4.9
|
26.4
|
1.0
|
N30
|
A:E3I204
|
4.9
|
17.9
|
1.0
|
H291
|
A:E3I204
|
4.9
|
20.8
|
1.0
|
|
Chlorine binding site 7 out
of 11 in 7t0u
Go back to
Chlorine Binding Sites List in 7t0u
Chlorine binding site 7 out
of 11 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387
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-12387 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl202
b:12.2
occ:0.89
|
CL10
|
C:E3I202
|
0.0
|
12.2
|
0.9
|
C09
|
C:E3I202
|
1.8
|
9.1
|
0.9
|
C08
|
C:E3I202
|
2.7
|
8.2
|
0.9
|
C11
|
C:E3I202
|
2.7
|
10.8
|
0.9
|
H081
|
C:E3I202
|
2.7
|
9.8
|
0.9
|
HB2
|
D:ASP17
|
2.9
|
17.0
|
1.0
|
HD1
|
D:HIS14
|
2.9
|
13.0
|
1.0
|
O12
|
C:E3I202
|
3.0
|
11.5
|
0.9
|
HG23
|
D:VAL18
|
3.0
|
13.1
|
1.0
|
HB3
|
D:ASP17
|
3.1
|
17.0
|
1.0
|
H121
|
C:E3I202
|
3.1
|
13.8
|
0.9
|
ND1
|
D:HIS14
|
3.3
|
10.8
|
1.0
|
CB
|
D:ASP17
|
3.4
|
14.2
|
1.0
|
HA
|
D:HIS14
|
3.5
|
11.8
|
1.0
|
HG22
|
D:VAL18
|
3.6
|
13.1
|
1.0
|
O
|
D:HIS14
|
3.6
|
10.2
|
1.0
|
HE1
|
D:HIS14
|
3.6
|
13.0
|
1.0
|
CE1
|
D:HIS14
|
3.6
|
10.9
|
1.0
|
H
|
D:VAL18
|
3.7
|
12.8
|
1.0
|
CG2
|
D:VAL18
|
3.7
|
10.9
|
1.0
|
O
|
C:HOH328
|
3.8
|
13.7
|
0.6
|
N
|
D:VAL18
|
3.8
|
10.7
|
1.0
|
HA
|
C:CYS53
|
3.8
|
12.0
|
1.0
|
C07
|
C:E3I202
|
4.0
|
8.6
|
0.9
|
C13
|
C:E3I202
|
4.0
|
8.9
|
0.9
|
HA
|
D:VAL18
|
4.0
|
12.2
|
1.0
|
C
|
D:ASP17
|
4.0
|
10.8
|
1.0
|
O
|
C:ALA52
|
4.1
|
10.6
|
1.0
|
O
|
C:HOH357
|
4.1
|
41.1
|
1.0
|
CG
|
D:HIS14
|
4.1
|
9.8
|
1.0
|
CA
|
D:HIS14
|
4.2
|
9.8
|
1.0
|
CA
|
D:ASP17
|
4.3
|
11.8
|
1.0
|
C
|
D:HIS14
|
4.4
|
9.9
|
1.0
|
CA
|
D:VAL18
|
4.4
|
10.2
|
1.0
|
HG21
|
D:VAL18
|
4.4
|
13.1
|
1.0
|
O
|
D:HOH374
|
4.4
|
49.7
|
1.0
|
OD2
|
D:ASP17
|
4.5
|
21.0
|
1.0
|
C17
|
C:E3I202
|
4.5
|
9.0
|
0.9
|
CG
|
D:ASP17
|
4.5
|
17.8
|
1.0
|
NE2
|
D:HIS14
|
4.6
|
10.8
|
1.0
|
O
|
D:ASP17
|
4.6
|
10.4
|
1.0
|
CB
|
D:HIS14
|
4.7
|
10.6
|
1.0
|
CB
|
D:VAL18
|
4.7
|
10.6
|
1.0
|
SG
|
C:CYS53
|
4.7
|
11.2
|
1.0
|
HD22
|
D:ASN21
|
4.8
|
16.2
|
1.0
|
CA
|
C:CYS53
|
4.8
|
10.0
|
1.0
|
H181
|
C:E3I202
|
4.8
|
10.2
|
0.9
|
H
|
D:ASP17
|
4.8
|
13.1
|
1.0
|
HB2
|
D:HIS14
|
4.8
|
12.7
|
1.0
|
CD2
|
D:HIS14
|
4.9
|
10.2
|
1.0
|
H161
|
C:E3I202
|
4.9
|
13.9
|
0.9
|
C
|
C:ALA52
|
5.0
|
10.0
|
1.0
|
|
Chlorine binding site 8 out
of 11 in 7t0u
Go back to
Chlorine Binding Sites List in 7t0u
Chlorine binding site 8 out
of 11 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387
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-12387 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl202
b:9.9
occ:0.89
|
CL40
|
C:E3I202
|
0.0
|
9.9
|
0.9
|
C39
|
C:E3I202
|
1.7
|
11.1
|
0.9
|
H221
|
C:E3I202
|
2.6
|
11.7
|
0.9
|
C38
|
C:E3I202
|
2.6
|
13.4
|
0.9
|
C23
|
C:E3I202
|
2.7
|
11.1
|
0.9
|
H381
|
C:E3I202
|
2.7
|
16.1
|
0.9
|
HB3
|
D:ASN21
|
2.8
|
12.7
|
1.0
|
HA
|
C:ALA52
|
2.9
|
11.3
|
1.0
|
N22
|
C:E3I202
|
3.0
|
9.7
|
0.9
|
HD21
|
D:LEU25
|
3.0
|
15.1
|
1.0
|
HB3
|
C:MET51
|
3.1
|
12.8
|
1.0
|
HG
|
D:LEU25
|
3.1
|
14.1
|
1.0
|
HD1
|
C:TYR58
|
3.1
|
17.8
|
1.0
|
O
|
C:MET51
|
3.3
|
9.8
|
1.0
|
HD11
|
D:LEU25
|
3.3
|
14.1
|
1.0
|
C
|
C:MET51
|
3.5
|
8.9
|
1.0
|
N
|
C:ALA52
|
3.7
|
8.4
|
1.0
|
CA
|
C:ALA52
|
3.7
|
9.4
|
1.0
|
CD2
|
D:LEU25
|
3.7
|
12.5
|
1.0
|
CG
|
D:LEU25
|
3.7
|
11.7
|
1.0
|
HE1
|
C:TYR58
|
3.7
|
21.0
|
1.0
|
CB
|
D:ASN21
|
3.7
|
10.6
|
1.0
|
CD1
|
C:TYR58
|
3.8
|
14.8
|
1.0
|
HD23
|
D:LEU25
|
3.8
|
15.1
|
1.0
|
CB
|
C:MET51
|
3.8
|
10.7
|
1.0
|
HB2
|
C:MET51
|
3.9
|
12.8
|
1.0
|
N37
|
C:E3I202
|
3.9
|
15.1
|
0.9
|
C24
|
C:E3I202
|
3.9
|
15.2
|
0.9
|
O
|
D:ASN21
|
3.9
|
8.6
|
1.0
|
CD1
|
D:LEU25
|
3.9
|
11.7
|
1.0
|
HE2
|
C:MET51
|
4.0
|
17.7
|
1.0
|
HB2
|
C:ALA52
|
4.0
|
12.0
|
1.0
|
CE1
|
C:TYR58
|
4.1
|
17.5
|
1.0
|
H
|
C:ALA52
|
4.2
|
10.1
|
1.0
|
CG
|
D:ASN21
|
4.2
|
11.8
|
1.0
|
C21
|
C:E3I202
|
4.3
|
11.8
|
0.9
|
CA
|
C:MET51
|
4.3
|
9.2
|
1.0
|
HB2
|
D:ASN21
|
4.3
|
12.7
|
1.0
|
C
|
D:ASN21
|
4.3
|
9.2
|
1.0
|
HD12
|
D:LEU25
|
4.4
|
14.1
|
1.0
|
CB
|
C:ALA52
|
4.4
|
10.0
|
1.0
|
C25
|
C:E3I202
|
4.4
|
17.8
|
0.9
|
HA
|
D:ASN21
|
4.4
|
11.2
|
1.0
|
CA
|
D:ASN21
|
4.4
|
9.4
|
1.0
|
HD22
|
D:ASN21
|
4.5
|
16.2
|
1.0
|
ND2
|
D:ASN21
|
4.5
|
13.5
|
1.0
|
HD22
|
D:LEU25
|
4.6
|
15.1
|
1.0
|
H201
|
C:E3I202
|
4.6
|
11.2
|
0.9
|
HB2
|
C:TYR58
|
4.6
|
15.3
|
1.0
|
H241
|
C:E3I202
|
4.7
|
18.2
|
0.9
|
HD13
|
D:LEU25
|
4.7
|
14.1
|
1.0
|
OD1
|
D:ASN21
|
4.7
|
12.2
|
1.0
|
HB1
|
C:ALA52
|
4.8
|
12.0
|
1.0
|
HA
|
C:MET51
|
4.8
|
11.1
|
1.0
|
C
|
C:ALA52
|
4.8
|
10.0
|
1.0
|
HB2
|
D:ARG24
|
4.8
|
14.9
|
1.0
|
CG
|
C:TYR58
|
4.8
|
15.4
|
1.0
|
CE
|
C:MET51
|
4.9
|
14.7
|
1.0
|
H
|
D:LEU25
|
5.0
|
12.8
|
1.0
|
|
Chlorine binding site 9 out
of 11 in 7t0u
Go back to
Chlorine Binding Sites List in 7t0u
Chlorine binding site 9 out
of 11 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387
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-12387 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl201
b:12.8
occ:0.96
|
CL10
|
D:E3I201
|
0.0
|
12.8
|
1.0
|
C09
|
D:E3I201
|
1.8
|
9.6
|
1.0
|
C08
|
D:E3I201
|
2.7
|
9.6
|
1.0
|
C11
|
D:E3I201
|
2.7
|
11.2
|
1.0
|
H081
|
D:E3I201
|
2.8
|
11.6
|
1.0
|
HD1
|
C:HIS14
|
2.8
|
11.6
|
1.0
|
HB3
|
C:ASP17
|
2.9
|
17.0
|
1.0
|
O12
|
D:E3I201
|
3.0
|
12.4
|
1.0
|
HB2
|
C:ASP17
|
3.0
|
17.0
|
1.0
|
H121
|
D:E3I201
|
3.1
|
14.9
|
1.0
|
HG23
|
C:VAL18
|
3.1
|
12.1
|
1.0
|
ND1
|
C:HIS14
|
3.2
|
9.7
|
1.0
|
CB
|
C:ASP17
|
3.4
|
14.2
|
1.0
|
HE1
|
C:HIS14
|
3.6
|
11.3
|
1.0
|
HA
|
C:HIS14
|
3.6
|
13.7
|
1.0
|
HG22
|
C:VAL18
|
3.6
|
12.1
|
1.0
|
O
|
C:HIS14
|
3.6
|
11.4
|
1.0
|
CE1
|
C:HIS14
|
3.6
|
9.4
|
1.0
|
H
|
C:VAL18
|
3.7
|
12.1
|
1.0
|
CG2
|
C:VAL18
|
3.8
|
10.1
|
1.0
|
N
|
C:VAL18
|
3.8
|
10.1
|
1.0
|
HA
|
D:CYS53
|
3.8
|
11.8
|
1.0
|
O
|
D:HOH337
|
3.9
|
26.1
|
1.0
|
C07
|
D:E3I201
|
4.0
|
9.4
|
1.0
|
HA
|
C:VAL18
|
4.0
|
11.4
|
1.0
|
C13
|
D:E3I201
|
4.0
|
10.9
|
1.0
|
O
|
D:ALA52
|
4.1
|
10.9
|
1.0
|
C
|
C:ASP17
|
4.1
|
11.0
|
1.0
|
O
|
D:HOH339
|
4.2
|
31.1
|
1.0
|
CG
|
C:HIS14
|
4.2
|
10.1
|
1.0
|
O
|
C:HOH365
|
4.3
|
15.7
|
0.3
|
CA
|
C:HIS14
|
4.3
|
11.4
|
1.0
|
CA
|
C:ASP17
|
4.3
|
11.7
|
1.0
|
CA
|
C:VAL18
|
4.4
|
9.5
|
1.0
|
C
|
C:HIS14
|
4.4
|
11.1
|
1.0
|
HG21
|
C:VAL18
|
4.4
|
12.1
|
1.0
|
OD2
|
C:ASP17
|
4.5
|
23.2
|
1.0
|
C17
|
D:E3I201
|
4.5
|
10.5
|
1.0
|
CG
|
C:ASP17
|
4.5
|
20.4
|
1.0
|
NE2
|
C:HIS14
|
4.6
|
9.3
|
1.0
|
O
|
C:ASP17
|
4.6
|
11.3
|
1.0
|
CB
|
C:VAL18
|
4.7
|
9.5
|
1.0
|
HD22
|
C:ASN21
|
4.7
|
14.7
|
1.0
|
CA
|
D:CYS53
|
4.7
|
9.8
|
1.0
|
CB
|
C:HIS14
|
4.7
|
10.6
|
1.0
|
SG
|
D:CYS53
|
4.8
|
11.5
|
1.0
|
H181
|
D:E3I201
|
4.8
|
12.5
|
1.0
|
H
|
C:ASP17
|
4.8
|
13.5
|
1.0
|
H161
|
D:E3I201
|
4.9
|
14.8
|
1.0
|
CD2
|
C:HIS14
|
4.9
|
9.9
|
1.0
|
HB2
|
C:HIS14
|
4.9
|
12.7
|
1.0
|
C
|
D:ALA52
|
5.0
|
9.3
|
1.0
|
|
Chlorine binding site 10 out
of 11 in 7t0u
Go back to
Chlorine Binding Sites List in 7t0u
Chlorine binding site 10 out
of 11 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl201
b:10.8
occ:0.96
|
CL40
|
D:E3I201
|
0.0
|
10.8
|
1.0
|
C39
|
D:E3I201
|
1.7
|
9.0
|
1.0
|
H221
|
D:E3I201
|
2.6
|
11.3
|
1.0
|
C38
|
D:E3I201
|
2.7
|
10.4
|
1.0
|
C23
|
D:E3I201
|
2.7
|
9.3
|
1.0
|
H381
|
D:E3I201
|
2.7
|
12.5
|
1.0
|
HB3
|
C:ASN21
|
2.8
|
11.5
|
1.0
|
HA
|
D:ALA52
|
2.8
|
10.8
|
1.0
|
N22
|
D:E3I201
|
3.0
|
9.4
|
1.0
|
HB3
|
D:MET51
|
3.0
|
14.9
|
1.0
|
HD21
|
C:LEU25
|
3.1
|
14.1
|
1.0
|
HD11
|
C:LEU25
|
3.2
|
15.7
|
1.0
|
HD1
|
D:TYR58
|
3.2
|
17.0
|
1.0
|
HG
|
C:LEU25
|
3.2
|
13.5
|
1.0
|
O
|
D:MET51
|
3.3
|
9.2
|
1.0
|
C
|
D:MET51
|
3.5
|
9.1
|
1.0
|
CA
|
D:ALA52
|
3.6
|
9.0
|
1.0
|
N
|
D:ALA52
|
3.6
|
8.4
|
1.0
|
CB
|
C:ASN21
|
3.7
|
9.6
|
1.0
|
CD2
|
C:LEU25
|
3.7
|
11.7
|
1.0
|
CG
|
C:LEU25
|
3.8
|
11.3
|
1.0
|
HE1
|
D:TYR58
|
3.8
|
19.0
|
1.0
|
CD1
|
D:TYR58
|
3.8
|
14.1
|
1.0
|
CB
|
D:MET51
|
3.8
|
12.5
|
1.0
|
CD1
|
C:LEU25
|
3.9
|
13.1
|
1.0
|
N37
|
D:E3I201
|
3.9
|
10.2
|
1.0
|
HB2
|
D:MET51
|
3.9
|
14.9
|
1.0
|
HD23
|
C:LEU25
|
3.9
|
14.1
|
1.0
|
O
|
C:ASN21
|
4.0
|
10.2
|
1.0
|
C24
|
D:E3I201
|
4.0
|
10.6
|
1.0
|
HB2
|
D:ALA52
|
4.0
|
11.5
|
1.0
|
CE1
|
D:TYR58
|
4.1
|
15.8
|
1.0
|
H
|
D:ALA52
|
4.1
|
10.1
|
1.0
|
CG
|
C:ASN21
|
4.2
|
10.6
|
1.0
|
HD12
|
C:LEU25
|
4.2
|
15.7
|
1.0
|
CA
|
D:MET51
|
4.3
|
10.3
|
1.0
|
HB2
|
C:ASN21
|
4.3
|
11.5
|
1.0
|
C21
|
D:E3I201
|
4.3
|
10.9
|
1.0
|
CB
|
D:ALA52
|
4.3
|
9.6
|
1.0
|
HE2
|
D:MET51
|
4.4
|
22.2
|
1.0
|
C
|
C:ASN21
|
4.4
|
9.4
|
1.0
|
HA
|
C:ASN21
|
4.4
|
11.6
|
1.0
|
HD22
|
C:ASN21
|
4.4
|
14.7
|
1.0
|
C25
|
D:E3I201
|
4.5
|
10.4
|
1.0
|
CA
|
C:ASN21
|
4.5
|
9.7
|
1.0
|
ND2
|
C:ASN21
|
4.5
|
12.3
|
1.0
|
HB2
|
D:TYR58
|
4.6
|
14.1
|
1.0
|
H201
|
D:E3I201
|
4.6
|
12.5
|
1.0
|
HD22
|
C:LEU25
|
4.6
|
14.1
|
1.0
|
HD13
|
C:LEU25
|
4.7
|
15.7
|
1.0
|
HB1
|
D:ALA52
|
4.7
|
11.5
|
1.0
|
OD1
|
C:ASN21
|
4.7
|
12.2
|
1.0
|
C
|
D:ALA52
|
4.7
|
9.3
|
1.0
|
H241
|
D:E3I201
|
4.7
|
12.7
|
1.0
|
HA
|
D:MET51
|
4.8
|
12.3
|
1.0
|
CG
|
D:TYR58
|
4.8
|
13.6
|
1.0
|
HB2
|
C:ARG24
|
4.9
|
14.1
|
1.0
|
O
|
D:THR48
|
5.0
|
9.5
|
1.0
|
|
Reference:
D.A.Kuntz,
G.G.Prive.
Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387 To Be Published.
Page generated: Tue Jul 30 04:22:49 2024
|