Potassium in PDB 4bz9: Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075
Protein crystallography data
The structure of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075, PDB code: 4bz9
was solved by
M.Marek,
C.Romier,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
20.16 /
2.00
|
|
Space group
|
P 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
70.280,
70.316,
98.130,
77.93,
75.59,
85.54
|
|
R / Rfree (%)
|
19.08 /
22.12
|
Other elements in 4bz9:
The structure of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075 also contains other interesting chemical elements:
Potassium Binding Sites:
The binding sites of Potassium atom in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075
(pdb code 4bz9). This binding sites where shown within
5.0 Angstroms radius around Potassium atom.
In total 8 binding sites of Potassium where determined in the
Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075, PDB code: 4bz9:
Jump to Potassium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Potassium binding site 1 out
of 8 in 4bz9
Go back to
Potassium Binding Sites List in 4bz9
Potassium binding site 1 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075
 Mono view
 Stereo pair view
|
|
A full contact list of Potassium with other atoms in the K binding
site number 1 of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K600
b:14.5
occ:1.00
|
OD1
|
A:ASP184
|
2.5
|
14.0
|
1.0
|
|
O
|
A:ASP186
|
2.6
|
17.9
|
1.0
|
|
O
|
A:VAL208
|
2.6
|
14.4
|
1.0
|
|
O
|
A:HIS188
|
2.7
|
12.0
|
1.0
|
|
OG
|
A:SER207
|
2.8
|
14.2
|
1.0
|
|
O
|
A:ASP184
|
2.8
|
15.7
|
1.0
|
|
CG
|
A:ASP184
|
3.4
|
18.8
|
1.0
|
|
C
|
A:ASP186
|
3.4
|
18.6
|
1.0
|
|
N
|
A:ASP186
|
3.4
|
14.2
|
1.0
|
|
C
|
A:ASP184
|
3.5
|
17.0
|
1.0
|
|
C
|
A:VAL208
|
3.6
|
16.9
|
1.0
|
|
C
|
A:HIS188
|
3.7
|
12.6
|
1.0
|
|
CA
|
A:ASP186
|
3.8
|
12.7
|
1.0
|
|
CB
|
A:HIS209
|
3.8
|
10.8
|
1.0
|
|
CB
|
A:ASP184
|
3.8
|
12.6
|
1.0
|
|
CB
|
A:ASP186
|
3.9
|
12.4
|
1.0
|
|
CB
|
A:SER207
|
3.9
|
14.9
|
1.0
|
|
N
|
A:VAL208
|
3.9
|
15.1
|
1.0
|
|
C
|
A:LEU185
|
4.0
|
17.7
|
1.0
|
|
N
|
A:LEU185
|
4.1
|
13.7
|
1.0
|
|
CA
|
A:ASP184
|
4.3
|
11.5
|
1.0
|
|
CA
|
A:SER207
|
4.3
|
13.3
|
1.0
|
|
OD2
|
A:ASP184
|
4.3
|
18.0
|
1.0
|
|
CA
|
A:HIS209
|
4.3
|
11.2
|
1.0
|
|
CA
|
A:HIS189
|
4.4
|
10.1
|
1.0
|
|
CA
|
A:LEU185
|
4.4
|
14.3
|
1.0
|
|
N
|
A:GLY190
|
4.4
|
13.2
|
1.0
|
|
ND1
|
A:HIS209
|
4.4
|
16.4
|
1.0
|
|
N
|
A:HIS189
|
4.4
|
11.1
|
1.0
|
|
N
|
A:HIS209
|
4.4
|
13.4
|
1.0
|
|
C
|
A:SER207
|
4.5
|
17.6
|
1.0
|
|
N
|
A:HIS188
|
4.5
|
12.2
|
1.0
|
|
CA
|
A:VAL208
|
4.5
|
14.2
|
1.0
|
|
O
|
A:LEU185
|
4.6
|
17.4
|
1.0
|
|
CG
|
A:HIS209
|
4.6
|
14.3
|
1.0
|
|
N
|
A:LEU187
|
4.6
|
13.7
|
1.0
|
|
C
|
A:HIS189
|
4.7
|
13.8
|
1.0
|
|
O
|
A:HOH2080
|
4.7
|
21.0
|
1.0
|
|
CA
|
A:HIS188
|
4.7
|
10.5
|
1.0
|
|
C
|
A:LEU187
|
4.7
|
14.8
|
1.0
|
|
CE1
|
A:HIS141
|
4.8
|
17.6
|
1.0
|
|
Potassium binding site 2 out
of 8 in 4bz9
Go back to
Potassium Binding Sites List in 4bz9
Potassium binding site 2 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075
 Mono view
 Stereo pair view
|
|
A full contact list of Potassium with other atoms in the K binding
site number 2 of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K601
b:25.4
occ:1.00
|
O
|
A:PHE197
|
2.4
|
15.4
|
1.0
|
|
OG
|
A:SER243
|
2.5
|
17.7
|
1.0
|
|
O
|
A:VAL203
|
2.5
|
20.1
|
1.0
|
|
O
|
A:SER200
|
2.7
|
22.1
|
1.0
|
|
O
|
A:HOH2086
|
3.0
|
21.1
|
1.0
|
|
CB
|
A:SER243
|
3.3
|
17.8
|
1.0
|
|
C
|
A:PHE197
|
3.4
|
15.9
|
1.0
|
|
O
|
A:SER243
|
3.6
|
18.2
|
1.0
|
|
C
|
A:VAL203
|
3.7
|
19.5
|
1.0
|
|
C
|
A:SER200
|
3.8
|
22.7
|
1.0
|
|
CB
|
A:PHE197
|
3.8
|
13.2
|
1.0
|
|
C
|
A:SER243
|
4.0
|
19.3
|
1.0
|
|
CA
|
A:PHE197
|
4.2
|
12.3
|
1.0
|
|
CA
|
A:SER243
|
4.3
|
15.7
|
1.0
|
|
N
|
A:SER200
|
4.3
|
18.0
|
1.0
|
|
N
|
A:TRP198
|
4.3
|
13.7
|
1.0
|
|
CA
|
A:SER200
|
4.5
|
18.6
|
0.5
|
|
CA
|
A:SER200
|
4.5
|
19.3
|
0.5
|
|
CA
|
A:TRP198
|
4.5
|
15.6
|
1.0
|
|
C
|
A:TRP198
|
4.6
|
16.7
|
1.0
|
|
CA
|
A:VAL204
|
4.6
|
16.1
|
1.0
|
|
N
|
A:VAL204
|
4.6
|
16.4
|
1.0
|
|
O
|
A:TRP198
|
4.6
|
17.0
|
1.0
|
|
CB
|
A:SER200
|
4.6
|
21.2
|
0.5
|
|
CA
|
A:VAL203
|
4.6
|
13.7
|
1.0
|
|
N
|
A:ALA244
|
4.6
|
15.2
|
1.0
|
|
O
|
A:GLY240
|
4.7
|
18.3
|
1.0
|
|
CB
|
A:SER200
|
4.7
|
24.6
|
0.5
|
|
N
|
A:THR205
|
4.7
|
14.7
|
1.0
|
|
CB
|
A:VAL203
|
4.8
|
16.6
|
1.0
|
|
N
|
A:VAL203
|
4.8
|
14.6
|
1.0
|
|
N
|
A:PRO201
|
4.8
|
18.3
|
1.0
|
|
CG2
|
A:THR205
|
4.9
|
13.3
|
1.0
|
|
OG1
|
A:THR205
|
4.9
|
15.3
|
1.0
|
|
CA
|
A:PRO201
|
4.9
|
18.6
|
1.0
|
|
Potassium binding site 3 out
of 8 in 4bz9
Go back to
Potassium Binding Sites List in 4bz9
Potassium binding site 3 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075
 Mono view
 Stereo pair view
|
|
A full contact list of Potassium with other atoms in the K binding
site number 3 of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K600
b:12.8
occ:1.00
|
O
|
B:ASP186
|
2.5
|
14.3
|
1.0
|
|
OD1
|
B:ASP184
|
2.6
|
11.9
|
1.0
|
|
O
|
B:VAL208
|
2.6
|
11.5
|
1.0
|
|
O
|
B:ASP184
|
2.7
|
10.1
|
1.0
|
|
O
|
B:HIS188
|
2.7
|
11.3
|
1.0
|
|
OG
|
B:SER207
|
2.9
|
13.6
|
1.0
|
|
CG
|
B:ASP184
|
3.3
|
16.2
|
1.0
|
|
C
|
B:ASP184
|
3.4
|
11.8
|
1.0
|
|
N
|
B:ASP186
|
3.4
|
11.3
|
1.0
|
|
C
|
B:ASP186
|
3.5
|
14.0
|
1.0
|
|
C
|
B:VAL208
|
3.7
|
11.7
|
1.0
|
|
CB
|
B:ASP184
|
3.7
|
10.6
|
1.0
|
|
C
|
B:HIS188
|
3.7
|
11.6
|
1.0
|
|
CA
|
B:ASP186
|
3.8
|
10.6
|
1.0
|
|
CB
|
B:HIS209
|
3.9
|
7.7
|
1.0
|
|
N
|
B:VAL208
|
3.9
|
10.3
|
1.0
|
|
CB
|
B:ASP186
|
3.9
|
12.1
|
1.0
|
|
C
|
B:LEU185
|
4.0
|
13.8
|
1.0
|
|
N
|
B:LEU185
|
4.1
|
8.7
|
1.0
|
|
CB
|
B:SER207
|
4.1
|
14.9
|
1.0
|
|
CA
|
B:ASP184
|
4.2
|
8.8
|
1.0
|
|
OD2
|
B:ASP184
|
4.2
|
17.6
|
1.0
|
|
ND1
|
B:HIS209
|
4.3
|
12.2
|
1.0
|
|
CA
|
B:LEU185
|
4.3
|
9.2
|
1.0
|
|
N
|
B:GLY190
|
4.3
|
14.1
|
1.0
|
|
CA
|
B:SER207
|
4.4
|
14.8
|
1.0
|
|
CA
|
B:HIS189
|
4.4
|
7.9
|
1.0
|
|
N
|
B:HIS189
|
4.4
|
8.2
|
1.0
|
|
CA
|
B:HIS209
|
4.5
|
9.1
|
1.0
|
|
N
|
B:HIS188
|
4.5
|
11.0
|
1.0
|
|
C
|
B:SER207
|
4.5
|
16.0
|
1.0
|
|
CA
|
B:VAL208
|
4.5
|
9.4
|
1.0
|
|
N
|
B:HIS209
|
4.5
|
8.7
|
1.0
|
|
CG
|
B:HIS209
|
4.6
|
10.8
|
1.0
|
|
O
|
B:LEU185
|
4.7
|
13.7
|
1.0
|
|
C
|
B:HIS189
|
4.7
|
14.7
|
1.0
|
|
N
|
B:LEU187
|
4.7
|
10.5
|
1.0
|
|
CA
|
B:HIS188
|
4.7
|
10.7
|
1.0
|
|
C
|
B:LEU187
|
4.8
|
12.4
|
1.0
|
|
O
|
B:HOH2078
|
4.8
|
16.4
|
1.0
|
|
CE1
|
B:HIS141
|
4.9
|
12.9
|
1.0
|
|
Potassium binding site 4 out
of 8 in 4bz9
Go back to
Potassium Binding Sites List in 4bz9
Potassium binding site 4 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075
 Mono view
 Stereo pair view
|
|
A full contact list of Potassium with other atoms in the K binding
site number 4 of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K601
b:27.9
occ:1.00
|
O
|
B:PHE197
|
2.4
|
18.4
|
1.0
|
|
O
|
B:VAL203
|
2.4
|
20.0
|
1.0
|
|
OG
|
B:SER243
|
2.4
|
26.0
|
1.0
|
|
O
|
B:SER200
|
2.7
|
22.8
|
1.0
|
|
O
|
B:HOH2082
|
2.9
|
17.3
|
1.0
|
|
CB
|
B:SER243
|
3.3
|
17.9
|
1.0
|
|
C
|
B:PHE197
|
3.4
|
18.4
|
1.0
|
|
C
|
B:VAL203
|
3.7
|
19.2
|
1.0
|
|
CB
|
B:PHE197
|
3.8
|
12.7
|
1.0
|
|
C
|
B:SER200
|
3.8
|
24.4
|
1.0
|
|
O
|
B:SER243
|
3.9
|
18.6
|
1.0
|
|
C
|
B:SER243
|
4.1
|
18.7
|
1.0
|
|
CA
|
B:PHE197
|
4.2
|
12.6
|
1.0
|
|
CA
|
B:SER243
|
4.3
|
15.3
|
1.0
|
|
N
|
B:TRP198
|
4.3
|
16.8
|
1.0
|
|
N
|
B:SER200
|
4.3
|
18.8
|
1.0
|
|
CA
|
B:SER200
|
4.5
|
20.8
|
1.0
|
|
CA
|
B:TRP198
|
4.5
|
17.6
|
1.0
|
|
C
|
B:TRP198
|
4.5
|
19.6
|
1.0
|
|
N
|
B:VAL204
|
4.6
|
14.5
|
1.0
|
|
CA
|
B:VAL204
|
4.6
|
14.2
|
1.0
|
|
O
|
B:TRP198
|
4.6
|
18.9
|
1.0
|
|
CA
|
B:VAL203
|
4.6
|
17.2
|
1.0
|
|
O
|
B:GLY240
|
4.7
|
22.3
|
1.0
|
|
N
|
B:ALA244
|
4.7
|
13.6
|
1.0
|
|
CB
|
B:SER200
|
4.7
|
24.6
|
1.0
|
|
CB
|
B:VAL203
|
4.7
|
19.9
|
1.0
|
|
N
|
B:THR205
|
4.8
|
13.4
|
1.0
|
|
N
|
B:VAL203
|
4.8
|
18.8
|
1.0
|
|
N
|
B:PRO201
|
4.8
|
21.7
|
1.0
|
|
CA
|
B:PRO201
|
5.0
|
21.3
|
1.0
|
|
OG1
|
B:THR205
|
5.0
|
15.2
|
1.0
|
|
CG2
|
B:THR205
|
5.0
|
11.4
|
1.0
|
|
CA
|
B:GLY240
|
5.0
|
17.3
|
1.0
|
|
Potassium binding site 5 out
of 8 in 4bz9
Go back to
Potassium Binding Sites List in 4bz9
Potassium binding site 5 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075
 Mono view
 Stereo pair view
|
|
A full contact list of Potassium with other atoms in the K binding
site number 5 of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:K600
b:13.3
occ:1.00
|
O
|
C:ASP186
|
2.4
|
15.6
|
1.0
|
|
OD1
|
C:ASP184
|
2.6
|
15.0
|
1.0
|
|
O
|
C:VAL208
|
2.6
|
10.5
|
1.0
|
|
O
|
C:HIS188
|
2.8
|
14.2
|
1.0
|
|
O
|
C:ASP184
|
2.8
|
11.2
|
1.0
|
|
OG
|
C:SER207
|
3.0
|
13.9
|
1.0
|
|
N
|
C:ASP186
|
3.4
|
10.1
|
1.0
|
|
CG
|
C:ASP184
|
3.4
|
16.7
|
1.0
|
|
C
|
C:ASP186
|
3.4
|
14.6
|
1.0
|
|
C
|
C:ASP184
|
3.4
|
12.4
|
1.0
|
|
C
|
C:VAL208
|
3.7
|
11.6
|
1.0
|
|
CB
|
C:ASP184
|
3.8
|
10.3
|
1.0
|
|
C
|
C:HIS188
|
3.8
|
15.4
|
1.0
|
|
CB
|
C:HIS209
|
3.8
|
8.0
|
1.0
|
|
CA
|
C:ASP186
|
3.8
|
10.2
|
1.0
|
|
C
|
C:LEU185
|
3.9
|
14.8
|
1.0
|
|
N
|
C:VAL208
|
3.9
|
11.7
|
1.0
|
|
CB
|
C:ASP186
|
3.9
|
13.0
|
1.0
|
|
N
|
C:LEU185
|
4.0
|
10.1
|
1.0
|
|
CB
|
C:SER207
|
4.2
|
16.2
|
1.0
|
|
CA
|
C:ASP184
|
4.2
|
10.0
|
1.0
|
|
CA
|
C:LEU185
|
4.2
|
10.9
|
1.0
|
|
ND1
|
C:HIS209
|
4.2
|
11.6
|
1.0
|
|
OD2
|
C:ASP184
|
4.3
|
17.4
|
1.0
|
|
N
|
C:GLY190
|
4.3
|
12.3
|
1.0
|
|
CA
|
C:HIS209
|
4.4
|
7.9
|
1.0
|
|
CA
|
C:HIS189
|
4.4
|
11.1
|
1.0
|
|
N
|
C:HIS188
|
4.5
|
10.8
|
1.0
|
|
CA
|
C:SER207
|
4.5
|
15.5
|
1.0
|
|
N
|
C:HIS209
|
4.5
|
8.5
|
1.0
|
|
N
|
C:HIS189
|
4.5
|
12.2
|
1.0
|
|
CA
|
C:VAL208
|
4.5
|
8.4
|
1.0
|
|
CG
|
C:HIS209
|
4.5
|
10.4
|
1.0
|
|
C
|
C:SER207
|
4.5
|
17.2
|
1.0
|
|
O
|
C:LEU185
|
4.5
|
14.8
|
1.0
|
|
N
|
C:LEU187
|
4.6
|
9.7
|
1.0
|
|
C
|
C:HIS189
|
4.7
|
15.5
|
1.0
|
|
C
|
C:LEU187
|
4.7
|
13.8
|
1.0
|
|
CA
|
C:HIS188
|
4.8
|
11.5
|
1.0
|
|
O
|
C:HOH2081
|
4.8
|
16.6
|
1.0
|
|
CE1
|
C:HIS141
|
5.0
|
15.9
|
1.0
|
|
Potassium binding site 6 out
of 8 in 4bz9
Go back to
Potassium Binding Sites List in 4bz9
Potassium binding site 6 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075
 Mono view
 Stereo pair view
|
|
A full contact list of Potassium with other atoms in the K binding
site number 6 of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:K601
b:28.2
occ:1.00
|
O
|
C:PHE197
|
2.4
|
15.8
|
1.0
|
|
OG
|
C:SER243
|
2.4
|
23.1
|
1.0
|
|
O
|
C:VAL203
|
2.5
|
18.0
|
1.0
|
|
O
|
C:SER200
|
2.6
|
21.7
|
1.0
|
|
O
|
C:HOH2086
|
3.1
|
21.5
|
1.0
|
|
CB
|
C:SER243
|
3.2
|
15.7
|
1.0
|
|
C
|
C:PHE197
|
3.4
|
16.4
|
1.0
|
|
O
|
C:SER243
|
3.7
|
18.5
|
1.0
|
|
C
|
C:VAL203
|
3.7
|
17.7
|
1.0
|
|
C
|
C:SER200
|
3.7
|
23.8
|
1.0
|
|
CB
|
C:PHE197
|
3.8
|
15.5
|
1.0
|
|
C
|
C:SER243
|
4.0
|
18.2
|
1.0
|
|
CA
|
C:SER243
|
4.2
|
13.5
|
1.0
|
|
CA
|
C:PHE197
|
4.2
|
14.0
|
1.0
|
|
N
|
C:SER200
|
4.3
|
21.4
|
1.0
|
|
N
|
C:TRP198
|
4.3
|
14.0
|
1.0
|
|
CA
|
C:SER200
|
4.4
|
22.1
|
1.0
|
|
O
|
C:TRP198
|
4.5
|
14.5
|
1.0
|
|
CA
|
C:TRP198
|
4.5
|
14.4
|
1.0
|
|
C
|
C:TRP198
|
4.5
|
16.9
|
1.0
|
|
CA
|
C:VAL204
|
4.5
|
13.3
|
1.0
|
|
N
|
C:VAL204
|
4.6
|
13.8
|
1.0
|
|
CB
|
C:SER200
|
4.6
|
26.3
|
1.0
|
|
CA
|
C:VAL203
|
4.6
|
12.6
|
1.0
|
|
N
|
C:ALA244
|
4.7
|
15.1
|
1.0
|
|
N
|
C:THR205
|
4.7
|
13.6
|
1.0
|
|
O
|
C:GLY240
|
4.7
|
16.8
|
1.0
|
|
CG2
|
C:THR205
|
4.7
|
14.8
|
1.0
|
|
N
|
C:PRO201
|
4.8
|
19.6
|
1.0
|
|
N
|
C:VAL203
|
4.8
|
14.6
|
1.0
|
|
CB
|
C:VAL203
|
4.8
|
14.7
|
1.0
|
|
OG1
|
C:THR205
|
4.8
|
13.9
|
1.0
|
|
CA
|
C:PRO201
|
4.9
|
18.9
|
1.0
|
|
CA
|
C:GLY240
|
5.0
|
17.1
|
1.0
|
|
Potassium binding site 7 out
of 8 in 4bz9
Go back to
Potassium Binding Sites List in 4bz9
Potassium binding site 7 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075
 Mono view
 Stereo pair view
|
|
A full contact list of Potassium with other atoms in the K binding
site number 7 of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:K600
b:13.9
occ:1.00
|
O
|
D:ASP186
|
2.5
|
18.2
|
1.0
|
|
O
|
D:VAL208
|
2.6
|
12.5
|
1.0
|
|
OD1
|
D:ASP184
|
2.7
|
15.4
|
1.0
|
|
O
|
D:HIS188
|
2.7
|
12.8
|
1.0
|
|
OG
|
D:SER207
|
2.9
|
13.5
|
1.0
|
|
O
|
D:ASP184
|
2.9
|
15.3
|
1.0
|
|
N
|
D:ASP186
|
3.4
|
11.9
|
1.0
|
|
CG
|
D:ASP184
|
3.4
|
18.0
|
1.0
|
|
C
|
D:ASP186
|
3.4
|
18.1
|
1.0
|
|
C
|
D:ASP184
|
3.5
|
15.3
|
1.0
|
|
C
|
D:VAL208
|
3.7
|
13.9
|
1.0
|
|
C
|
D:HIS188
|
3.7
|
14.8
|
1.0
|
|
CA
|
D:ASP186
|
3.8
|
11.4
|
1.0
|
|
CB
|
D:ASP184
|
3.8
|
11.2
|
1.0
|
|
CB
|
D:HIS209
|
3.8
|
10.1
|
1.0
|
|
CB
|
D:ASP186
|
3.9
|
11.7
|
1.0
|
|
N
|
D:VAL208
|
3.9
|
13.8
|
1.0
|
|
C
|
D:LEU185
|
3.9
|
16.5
|
1.0
|
|
CB
|
D:SER207
|
4.0
|
17.4
|
1.0
|
|
N
|
D:LEU185
|
4.1
|
12.7
|
1.0
|
|
CA
|
D:ASP184
|
4.3
|
10.0
|
1.0
|
|
CA
|
D:LEU185
|
4.3
|
13.7
|
1.0
|
|
OD2
|
D:ASP184
|
4.3
|
17.8
|
1.0
|
|
CA
|
D:HIS189
|
4.3
|
13.0
|
1.0
|
|
N
|
D:GLY190
|
4.3
|
16.1
|
1.0
|
|
CA
|
D:SER207
|
4.3
|
14.7
|
1.0
|
|
CA
|
D:HIS209
|
4.4
|
11.2
|
1.0
|
|
ND1
|
D:HIS209
|
4.4
|
15.4
|
1.0
|
|
N
|
D:HIS189
|
4.4
|
12.8
|
1.0
|
|
N
|
D:HIS209
|
4.4
|
11.8
|
1.0
|
|
N
|
D:HIS188
|
4.4
|
12.7
|
1.0
|
|
C
|
D:SER207
|
4.5
|
17.4
|
1.0
|
|
CA
|
D:VAL208
|
4.5
|
12.5
|
1.0
|
|
O
|
D:LEU185
|
4.5
|
16.4
|
1.0
|
|
CG
|
D:HIS209
|
4.6
|
13.4
|
1.0
|
|
N
|
D:LEU187
|
4.6
|
13.7
|
1.0
|
|
C
|
D:HIS189
|
4.6
|
17.6
|
1.0
|
|
C
|
D:LEU187
|
4.7
|
15.2
|
1.0
|
|
CA
|
D:HIS188
|
4.7
|
13.1
|
1.0
|
|
O
|
D:HOH2081
|
4.8
|
16.1
|
1.0
|
|
CE1
|
D:HIS141
|
4.9
|
17.7
|
1.0
|
|
Potassium binding site 8 out
of 8 in 4bz9
Go back to
Potassium Binding Sites List in 4bz9
Potassium binding site 8 out
of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075
 Mono view
 Stereo pair view
|
|
A full contact list of Potassium with other atoms in the K binding
site number 8 of Crystal Structure of Schistosoma Mansoni HDAC8 Complexed with J1075 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:K601
b:25.1
occ:1.00
|
O
|
D:PHE197
|
2.4
|
14.1
|
1.0
|
|
OG
|
D:SER243
|
2.5
|
20.8
|
1.0
|
|
O
|
D:VAL203
|
2.5
|
16.8
|
1.0
|
|
O
|
D:HOH2084
|
2.7
|
17.7
|
1.0
|
|
O
|
D:SER200
|
2.8
|
22.0
|
1.0
|
|
CB
|
D:SER243
|
3.2
|
18.6
|
1.0
|
|
C
|
D:PHE197
|
3.4
|
16.3
|
1.0
|
|
O
|
D:SER243
|
3.7
|
19.7
|
1.0
|
|
C
|
D:VAL203
|
3.8
|
18.3
|
1.0
|
|
CB
|
D:PHE197
|
3.8
|
13.1
|
1.0
|
|
C
|
D:SER200
|
3.9
|
21.3
|
1.0
|
|
C
|
D:SER243
|
4.0
|
19.9
|
1.0
|
|
CA
|
D:SER243
|
4.2
|
16.2
|
1.0
|
|
CA
|
D:PHE197
|
4.2
|
11.8
|
1.0
|
|
N
|
D:TRP198
|
4.3
|
14.2
|
1.0
|
|
N
|
D:SER200
|
4.4
|
17.7
|
1.0
|
|
CA
|
D:SER200
|
4.5
|
18.6
|
1.0
|
|
CA
|
D:TRP198
|
4.5
|
15.6
|
1.0
|
|
C
|
D:TRP198
|
4.6
|
18.7
|
1.0
|
|
O
|
D:TRP198
|
4.6
|
18.7
|
1.0
|
|
N
|
D:ALA244
|
4.6
|
15.2
|
1.0
|
|
CA
|
D:VAL204
|
4.6
|
14.4
|
1.0
|
|
CB
|
D:SER200
|
4.6
|
21.0
|
1.0
|
|
O
|
D:GLY240
|
4.6
|
20.0
|
1.0
|
|
N
|
D:VAL204
|
4.6
|
14.2
|
1.0
|
|
CA
|
D:VAL203
|
4.7
|
13.1
|
1.0
|
|
N
|
D:THR205
|
4.7
|
16.4
|
1.0
|
|
CG2
|
D:THR205
|
4.8
|
6.9
|
1.0
|
|
CB
|
D:VAL203
|
4.8
|
16.7
|
1.0
|
|
OG1
|
D:THR205
|
4.9
|
13.5
|
1.0
|
|
N
|
D:PRO201
|
4.9
|
18.1
|
1.0
|
|
N
|
D:VAL203
|
4.9
|
15.2
|
1.0
|
|
CA
|
D:PRO201
|
5.0
|
17.9
|
1.0
|
|
Reference:
M.Marek,
S.Kannan,
A.Hauser,
M.Moraes Mourao,
S.Caby,
V.Cura,
D.A.Stolfa,
K.Schmidtkunz,
J.Lancelot,
L.Andrade,
J.Renaud,
G.Oliveira,
W.Sippl,
M.Jung,
J.Cavarelli,
R.J.Pierce,
C.Romier.
Structural Basis For the Inhibition of Histone Deacetylase 8 (HDAC8), A Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni. Plos Pathog. V. 9 03645 2013.
ISSN: ISSN 1553-7366
PubMed: 24086136
DOI: 10.1371/JOURNAL.PPAT.1003645
Page generated: Mon Aug 12 10:18:17 2024
|
