Chlorine in PDB 7rv4: Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-9153
Protein crystallography data
The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-9153, PDB code: 7rv4
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)
|
30.05 /
1.25
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
30.702,
72.781,
55.514,
90,
106.38,
90
|
R / Rfree (%)
|
11.9 /
14.7
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-9153
(pdb code 7rv4). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the
Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-9153, PDB code: 7rv4:
Jump to Chlorine binding site number:
1;
2;
3;
Chlorine binding site 1 out
of 3 in 7rv4
Go back to
Chlorine Binding Sites List in 7rv4
Chlorine binding site 1 out
of 3 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-9153
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-9153 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:15.2
occ:1.00
|
CL33
|
A:7SO201
|
0.0
|
15.2
|
1.0
|
C32
|
A:7SO201
|
1.7
|
14.8
|
1.0
|
C34
|
A:7SO201
|
2.6
|
17.1
|
1.0
|
C31
|
A:7SO201
|
2.7
|
15.3
|
1.0
|
HA
|
A:ALA52
|
2.9
|
11.4
|
1.0
|
HD1
|
A:TYR58
|
3.0
|
16.6
|
1.0
|
N30
|
A:7SO201
|
3.0
|
14.3
|
1.0
|
HB3
|
A:MET51
|
3.2
|
13.0
|
1.0
|
O
|
A:MET51
|
3.2
|
11.0
|
1.0
|
C
|
A:MET51
|
3.5
|
9.5
|
1.0
|
N
|
A:ALA52
|
3.6
|
9.5
|
1.0
|
CA
|
A:ALA52
|
3.7
|
9.5
|
1.0
|
HE1
|
A:TYR58
|
3.7
|
18.6
|
1.0
|
CD1
|
A:TYR58
|
3.8
|
13.8
|
1.0
|
HB2
|
A:MET51
|
3.8
|
13.0
|
1.0
|
CB
|
A:MET51
|
3.9
|
10.8
|
1.0
|
N35
|
A:7SO201
|
3.9
|
17.9
|
1.0
|
C37
|
A:7SO201
|
4.0
|
18.1
|
1.0
|
HB2
|
A:ALA52
|
4.1
|
11.9
|
1.0
|
HE2
|
A:MET51
|
4.1
|
23.5
|
1.0
|
H
|
A:ALA52
|
4.1
|
11.4
|
1.0
|
CE1
|
A:TYR58
|
4.1
|
15.5
|
1.0
|
CA
|
A:MET51
|
4.3
|
9.5
|
1.0
|
C29
|
A:7SO201
|
4.4
|
15.3
|
1.0
|
C36
|
A:7SO201
|
4.4
|
19.2
|
1.0
|
CB
|
A:ALA52
|
4.4
|
9.9
|
1.0
|
HB2
|
A:TYR58
|
4.6
|
13.4
|
1.0
|
C
|
A:ALA52
|
4.8
|
10.1
|
1.0
|
HB1
|
A:ALA52
|
4.8
|
11.9
|
1.0
|
HA
|
A:MET51
|
4.8
|
11.4
|
1.0
|
CG
|
A:TYR58
|
4.9
|
12.5
|
1.0
|
|
Chlorine binding site 2 out
of 3 in 7rv4
Go back to
Chlorine Binding Sites List in 7rv4
Chlorine binding site 2 out
of 3 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-9153
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-9153 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl205
b:37.3
occ:0.76
|
HD21
|
A:ASN23
|
2.1
|
18.9
|
1.0
|
O
|
A:HOH414
|
2.8
|
41.2
|
1.0
|
ND2
|
A:ASN23
|
2.9
|
15.8
|
1.0
|
HH22
|
A:ARG26
|
3.2
|
17.0
|
1.0
|
HG21
|
A:THR92
|
3.3
|
16.2
|
1.0
|
HH21
|
A:ARG26
|
3.3
|
17.0
|
1.0
|
HD22
|
A:ASN23
|
3.4
|
18.9
|
1.0
|
OD1
|
A:ASP88
|
3.5
|
27.4
|
1.0
|
HG23
|
A:THR92
|
3.5
|
16.2
|
1.0
|
NH2
|
A:ARG26
|
3.5
|
14.2
|
1.0
|
CG2
|
A:THR92
|
3.7
|
13.5
|
1.0
|
CG
|
A:ASN23
|
3.8
|
12.4
|
1.0
|
OD1
|
A:ASN23
|
3.8
|
12.4
|
1.0
|
HG22
|
A:THR92
|
3.8
|
16.2
|
1.0
|
CG
|
A:ASP88
|
4.0
|
21.1
|
1.0
|
HA
|
A:ASP88
|
4.1
|
14.7
|
1.0
|
HB3
|
A:ASP88
|
4.2
|
18.1
|
1.0
|
O
|
A:HOH304
|
4.3
|
20.5
|
1.0
|
CB
|
A:ASP88
|
4.5
|
15.1
|
1.0
|
OD2
|
A:ASP88
|
4.6
|
26.9
|
1.0
|
CZ
|
A:ARG26
|
4.7
|
13.7
|
1.0
|
CA
|
A:ASP88
|
4.8
|
12.2
|
1.0
|
O
|
A:HOH363
|
4.8
|
25.0
|
1.0
|
HB2
|
A:TYR91
|
4.8
|
12.4
|
1.0
|
HB3
|
A:TYR91
|
4.9
|
12.4
|
1.0
|
O
|
A:ASP88
|
5.0
|
11.8
|
1.0
|
|
Chlorine binding site 3 out
of 3 in 7rv4
Go back to
Chlorine Binding Sites List in 7rv4
Chlorine binding site 3 out
of 3 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-9153
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-9153 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl206
b:47.4
occ:0.80
|
H
|
A:GLY100
|
2.3
|
30.3
|
1.0
|
O
|
A:HOH405
|
2.7
|
57.7
|
1.0
|
HB3
|
A:ARG98
|
2.8
|
33.9
|
1.0
|
N
|
A:GLY100
|
3.1
|
25.2
|
1.0
|
HA3
|
A:GLY100
|
3.3
|
30.2
|
1.0
|
H
|
A:GLU99
|
3.3
|
32.8
|
1.0
|
HE
|
A:ARG98
|
3.6
|
58.8
|
1.0
|
HB2
|
A:ARG98
|
3.7
|
33.9
|
1.0
|
CB
|
A:ARG98
|
3.7
|
28.2
|
1.0
|
N
|
A:GLU99
|
3.7
|
27.3
|
1.0
|
CA
|
A:GLY100
|
3.7
|
25.2
|
1.0
|
HH21
|
A:ARG98
|
3.7
|
66.9
|
1.0
|
NE
|
A:ARG98
|
3.7
|
49.0
|
1.0
|
NH2
|
A:ARG98
|
3.9
|
55.7
|
1.0
|
CZ
|
A:ARG98
|
3.9
|
54.3
|
1.0
|
C
|
A:GLU99
|
4.0
|
25.6
|
1.0
|
O
|
A:HOH351
|
4.0
|
54.4
|
1.0
|
CB
|
A:GLU99
|
4.1
|
30.0
|
1.0
|
CA
|
A:GLU99
|
4.2
|
27.7
|
1.0
|
HA2
|
A:GLY100
|
4.2
|
30.2
|
1.0
|
C
|
A:ARG98
|
4.3
|
24.7
|
1.0
|
HH22
|
A:ARG98
|
4.3
|
66.9
|
1.0
|
HD3
|
A:ARG98
|
4.3
|
50.0
|
1.0
|
CD
|
A:ARG98
|
4.5
|
41.7
|
1.0
|
O
|
A:HOH418
|
4.5
|
40.2
|
1.0
|
CA
|
A:ARG98
|
4.5
|
25.9
|
1.0
|
NH1
|
A:ARG98
|
4.6
|
61.0
|
1.0
|
CG
|
A:ARG98
|
4.7
|
32.5
|
1.0
|
H
|
A:ASN101
|
4.7
|
24.6
|
1.0
|
HA
|
A:ARG98
|
4.8
|
31.0
|
1.0
|
C
|
A:GLY100
|
4.9
|
23.3
|
1.0
|
HH11
|
A:ARG98
|
5.0
|
73.2
|
1.0
|
HH12
|
A:ARG98
|
5.0
|
73.2
|
1.0
|
|
Reference:
I.Watson,
M.Isaac.
Structure of the BCL6 Btb Domain To Be Published.
Page generated: Tue Apr 4 21:39:09 2023
|