Potassium in PDB 4qa1: Crystal Structure of A188T HDAC8 in Complex with M344
Enzymatic activity of Crystal Structure of A188T HDAC8 in Complex with M344
All present enzymatic activity of Crystal Structure of A188T HDAC8 in Complex with M344:
3.5.1.98;
Protein crystallography data
The structure of Crystal Structure of A188T HDAC8 in Complex with M344, PDB code: 4qa1
was solved by
C.Decroos,
C.B.Bowman,
J.-A.S.Moser,
K.E.Christianson,
M.A.Deardorff,
D.W.Christianson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
47.61 /
1.92
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
98.419,
82.648,
105.649,
90.00,
102.15,
90.00
|
|
R / Rfree (%)
|
17.4 /
21.5
|
Other elements in 4qa1:
The structure of Crystal Structure of A188T HDAC8 in Complex with M344 also contains other interesting chemical elements:
Potassium Binding Sites:
The binding sites of Potassium atom in the Crystal Structure of A188T HDAC8 in Complex with M344
(pdb code 4qa1). 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 A188T HDAC8 in Complex with M344, PDB code: 4qa1:
Jump to Potassium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Potassium binding site 1 out
of 8 in 4qa1
Go back to
Potassium Binding Sites List in 4qa1
Potassium binding site 1 out
of 8 in the Crystal Structure of A188T HDAC8 in Complex with M344
 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 A188T HDAC8 in Complex with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K401
b:19.1
occ:1.00
|
O
|
A:LEU200
|
2.7
|
18.8
|
1.0
|
|
OD1
|
A:ASP176
|
2.7
|
19.6
|
1.0
|
|
O
|
A:ASP178
|
2.7
|
17.5
|
1.0
|
|
O
|
A:HIS180
|
2.8
|
16.8
|
1.0
|
|
O
|
A:ASP176
|
2.9
|
18.3
|
1.0
|
|
OG
|
A:SER199
|
2.9
|
19.1
|
1.0
|
|
CG
|
A:ASP176
|
3.4
|
25.9
|
1.0
|
|
C
|
A:ASP176
|
3.5
|
22.0
|
1.0
|
|
N
|
A:ASP178
|
3.5
|
18.7
|
1.0
|
|
C
|
A:ASP178
|
3.6
|
16.6
|
1.0
|
|
C
|
A:LEU200
|
3.7
|
23.7
|
1.0
|
|
C
|
A:HIS180
|
3.8
|
14.7
|
1.0
|
|
CB
|
A:HIS201
|
3.8
|
17.8
|
1.0
|
|
CB
|
A:ASP176
|
3.8
|
14.3
|
1.0
|
|
CA
|
A:ASP178
|
3.9
|
15.3
|
1.0
|
|
CB
|
A:ASP178
|
3.9
|
15.5
|
1.0
|
|
N
|
A:LEU200
|
4.0
|
19.5
|
1.0
|
|
C
|
A:LEU177
|
4.0
|
17.1
|
1.0
|
|
N
|
A:LEU177
|
4.0
|
17.8
|
1.0
|
|
CB
|
A:SER199
|
4.1
|
21.9
|
1.0
|
|
CA
|
A:LEU177
|
4.2
|
17.6
|
1.0
|
|
CA
|
A:ASP176
|
4.2
|
22.2
|
1.0
|
|
ND1
|
A:HIS201
|
4.3
|
20.1
|
1.0
|
|
CA
|
A:HIS201
|
4.3
|
18.8
|
1.0
|
|
N
|
A:GLY182
|
4.3
|
16.2
|
1.0
|
|
CA
|
A:SER199
|
4.4
|
22.1
|
1.0
|
|
OD2
|
A:ASP176
|
4.4
|
21.2
|
1.0
|
|
N
|
A:HIS201
|
4.4
|
18.1
|
1.0
|
|
N
|
A:HIS180
|
4.4
|
19.9
|
1.0
|
|
CA
|
A:HIS181
|
4.4
|
18.2
|
1.0
|
|
N
|
A:HIS181
|
4.5
|
18.0
|
1.0
|
|
O
|
A:HOH502
|
4.5
|
16.7
|
1.0
|
|
C
|
A:SER199
|
4.5
|
20.8
|
1.0
|
|
CG
|
A:HIS201
|
4.5
|
20.4
|
1.0
|
|
CA
|
A:LEU200
|
4.5
|
21.8
|
1.0
|
|
C
|
A:LEU179
|
4.7
|
21.6
|
1.0
|
|
N
|
A:LEU179
|
4.7
|
17.1
|
1.0
|
|
C
|
A:HIS181
|
4.7
|
16.0
|
1.0
|
|
CA
|
A:HIS180
|
4.7
|
18.8
|
1.0
|
|
O
|
A:LEU177
|
4.8
|
20.6
|
1.0
|
|
CE1
|
A:HIS142
|
4.8
|
18.8
|
1.0
|
|
Potassium binding site 2 out
of 8 in 4qa1
Go back to
Potassium Binding Sites List in 4qa1
Potassium binding site 2 out
of 8 in the Crystal Structure of A188T HDAC8 in Complex with M344
 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 A188T HDAC8 in Complex with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K402
b:24.0
occ:1.00
|
O
|
A:PHE189
|
2.6
|
26.0
|
1.0
|
|
O
|
A:VAL195
|
2.6
|
25.7
|
1.0
|
|
O
|
A:HOH507
|
2.8
|
23.8
|
1.0
|
|
O
|
A:THR192
|
2.8
|
25.8
|
1.0
|
|
O
|
A:HOH514
|
2.8
|
20.6
|
1.0
|
|
O
|
A:TYR225
|
3.0
|
28.3
|
1.0
|
|
CB
|
A:TYR225
|
3.6
|
29.0
|
1.0
|
|
C
|
A:PHE189
|
3.6
|
20.0
|
1.0
|
|
C
|
A:TYR225
|
3.7
|
28.9
|
1.0
|
|
C
|
A:VAL195
|
3.8
|
22.3
|
1.0
|
|
OG
|
A:SER226
|
3.9
|
26.5
|
1.0
|
|
C
|
A:THR192
|
4.0
|
28.7
|
1.0
|
|
CB
|
A:PHE189
|
4.2
|
20.8
|
1.0
|
|
CA
|
A:TYR225
|
4.3
|
28.6
|
1.0
|
|
CG2
|
A:THR192
|
4.3
|
20.4
|
1.0
|
|
CA
|
A:SER190
|
4.3
|
24.1
|
0.5
|
|
CA
|
A:MET196
|
4.3
|
24.6
|
1.0
|
|
CA
|
A:SER190
|
4.4
|
24.1
|
0.5
|
|
N
|
A:SER190
|
4.4
|
20.1
|
1.0
|
|
N
|
A:SER226
|
4.4
|
22.6
|
1.0
|
|
N
|
A:THR192
|
4.5
|
24.0
|
1.0
|
|
O
|
A:SER190
|
4.5
|
26.3
|
1.0
|
|
C
|
A:SER190
|
4.5
|
28.7
|
1.0
|
|
O
|
A:GLY222
|
4.5
|
26.5
|
1.0
|
|
N
|
A:MET196
|
4.5
|
23.2
|
1.0
|
|
CA
|
A:PHE189
|
4.6
|
22.9
|
1.0
|
|
N
|
A:THR197
|
4.6
|
23.7
|
1.0
|
|
CA
|
A:THR192
|
4.7
|
20.2
|
1.0
|
|
OG1
|
A:THR197
|
4.9
|
26.1
|
1.0
|
|
CG
|
A:TYR225
|
4.9
|
31.2
|
1.0
|
|
CA
|
A:GLY222
|
4.9
|
31.8
|
1.0
|
|
CA
|
A:VAL195
|
4.9
|
21.4
|
1.0
|
|
CA
|
A:SER226
|
4.9
|
24.9
|
1.0
|
|
C
|
A:MET196
|
4.9
|
25.4
|
1.0
|
|
N
|
A:SER193
|
5.0
|
22.5
|
1.0
|
|
Potassium binding site 3 out
of 8 in 4qa1
Go back to
Potassium Binding Sites List in 4qa1
Potassium binding site 3 out
of 8 in the Crystal Structure of A188T HDAC8 in Complex with M344
 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 A188T HDAC8 in Complex with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K401
b:15.9
occ:1.00
|
O
|
B:ASP178
|
2.6
|
14.9
|
1.0
|
|
O
|
B:LEU200
|
2.6
|
18.1
|
1.0
|
|
OD1
|
B:ASP176
|
2.7
|
14.6
|
1.0
|
|
O
|
B:HIS180
|
2.7
|
16.1
|
1.0
|
|
O
|
B:ASP176
|
2.8
|
16.6
|
1.0
|
|
OG
|
B:SER199
|
2.9
|
17.4
|
1.0
|
|
C
|
B:ASP176
|
3.4
|
14.1
|
1.0
|
|
CG
|
B:ASP176
|
3.4
|
14.7
|
1.0
|
|
N
|
B:ASP178
|
3.5
|
17.1
|
1.0
|
|
C
|
B:ASP178
|
3.5
|
20.5
|
1.0
|
|
C
|
B:LEU200
|
3.6
|
17.0
|
1.0
|
|
C
|
B:HIS180
|
3.7
|
13.9
|
1.0
|
|
CB
|
B:HIS201
|
3.8
|
16.3
|
1.0
|
|
CB
|
B:ASP176
|
3.8
|
13.6
|
1.0
|
|
CA
|
B:ASP178
|
3.8
|
15.6
|
1.0
|
|
CB
|
B:ASP178
|
3.9
|
12.5
|
1.0
|
|
C
|
B:LEU177
|
4.0
|
13.8
|
1.0
|
|
N
|
B:LEU200
|
4.0
|
15.5
|
1.0
|
|
N
|
B:LEU177
|
4.0
|
14.3
|
1.0
|
|
CB
|
B:SER199
|
4.1
|
16.2
|
1.0
|
|
CA
|
B:LEU177
|
4.2
|
14.7
|
1.0
|
|
CA
|
B:ASP176
|
4.2
|
14.7
|
1.0
|
|
ND1
|
B:HIS201
|
4.3
|
16.5
|
1.0
|
|
CA
|
B:HIS201
|
4.3
|
15.4
|
1.0
|
|
N
|
B:GLY182
|
4.4
|
17.5
|
1.0
|
|
OD2
|
B:ASP176
|
4.4
|
18.5
|
1.0
|
|
CA
|
B:HIS181
|
4.4
|
14.9
|
1.0
|
|
N
|
B:HIS201
|
4.4
|
14.7
|
1.0
|
|
N
|
B:HIS181
|
4.4
|
14.2
|
1.0
|
|
CA
|
B:SER199
|
4.4
|
15.8
|
1.0
|
|
N
|
B:HIS180
|
4.4
|
15.0
|
1.0
|
|
CA
|
B:LEU200
|
4.5
|
19.1
|
1.0
|
|
C
|
B:SER199
|
4.5
|
17.6
|
1.0
|
|
CG
|
B:HIS201
|
4.5
|
15.7
|
1.0
|
|
C
|
B:LEU179
|
4.6
|
16.3
|
1.0
|
|
N
|
B:LEU179
|
4.7
|
17.1
|
1.0
|
|
O
|
B:HOH502
|
4.7
|
18.1
|
1.0
|
|
CA
|
B:HIS180
|
4.7
|
11.9
|
1.0
|
|
C
|
B:HIS181
|
4.7
|
18.3
|
1.0
|
|
O
|
B:LEU177
|
4.8
|
15.0
|
1.0
|
|
CE1
|
B:HIS142
|
4.9
|
17.9
|
1.0
|
|
O
|
B:LEU179
|
4.9
|
12.4
|
1.0
|
|
Potassium binding site 4 out
of 8 in 4qa1
Go back to
Potassium Binding Sites List in 4qa1
Potassium binding site 4 out
of 8 in the Crystal Structure of A188T HDAC8 in Complex with M344
 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 A188T HDAC8 in Complex with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K402
b:19.4
occ:1.00
|
O
|
B:VAL195
|
2.6
|
18.6
|
1.0
|
|
O
|
B:PHE189
|
2.7
|
24.9
|
1.0
|
|
O
|
B:HOH504
|
2.8
|
21.1
|
1.0
|
|
O
|
B:HOH501
|
2.8
|
15.0
|
1.0
|
|
O
|
B:THR192
|
2.8
|
23.3
|
1.0
|
|
O
|
B:TYR225
|
3.2
|
19.2
|
1.0
|
|
CB
|
B:TYR225
|
3.6
|
22.0
|
1.0
|
|
C
|
B:PHE189
|
3.6
|
18.4
|
1.0
|
|
C
|
B:TYR225
|
3.7
|
17.7
|
1.0
|
|
C
|
B:VAL195
|
3.8
|
17.4
|
1.0
|
|
OG
|
B:SER226
|
4.0
|
24.4
|
1.0
|
|
C
|
B:THR192
|
4.0
|
23.9
|
1.0
|
|
CB
|
B:PHE189
|
4.0
|
19.4
|
1.0
|
|
OG1
|
B:THR192
|
4.3
|
27.1
|
0.4
|
|
CA
|
B:TYR225
|
4.3
|
20.0
|
1.0
|
|
CA
|
B:MET196
|
4.4
|
17.1
|
1.0
|
|
N
|
B:SER190
|
4.4
|
16.4
|
1.0
|
|
CA
|
B:SER190
|
4.5
|
22.8
|
1.0
|
|
CA
|
B:PHE189
|
4.5
|
22.5
|
1.0
|
|
N
|
B:SER226
|
4.5
|
18.0
|
1.0
|
|
O
|
B:SER190
|
4.5
|
22.2
|
1.0
|
|
C
|
B:SER190
|
4.5
|
25.7
|
1.0
|
|
N
|
B:THR192
|
4.6
|
24.1
|
1.0
|
|
O
|
B:GLY222
|
4.6
|
23.1
|
1.0
|
|
N
|
B:MET196
|
4.6
|
19.5
|
1.0
|
|
CG2
|
B:THR192
|
4.7
|
27.1
|
0.6
|
|
N
|
B:THR197
|
4.7
|
18.0
|
1.0
|
|
CA
|
B:THR192
|
4.8
|
23.9
|
0.4
|
|
CA
|
B:THR192
|
4.8
|
23.9
|
0.6
|
|
CA
|
B:VAL195
|
4.9
|
13.3
|
1.0
|
|
CG
|
B:TYR225
|
4.9
|
20.4
|
1.0
|
|
CA
|
B:GLY222
|
4.9
|
25.3
|
1.0
|
|
N
|
B:SER193
|
4.9
|
23.9
|
1.0
|
|
OG1
|
B:THR197
|
5.0
|
20.1
|
1.0
|
|
CA
|
B:SER226
|
5.0
|
14.7
|
1.0
|
|
C
|
B:MET196
|
5.0
|
17.8
|
1.0
|
|
Potassium binding site 5 out
of 8 in 4qa1
Go back to
Potassium Binding Sites List in 4qa1
Potassium binding site 5 out
of 8 in the Crystal Structure of A188T HDAC8 in Complex with M344
 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 A188T HDAC8 in Complex with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:K401
b:18.9
occ:1.00
|
O
|
C:LEU200
|
2.6
|
14.4
|
1.0
|
|
O
|
C:ASP178
|
2.7
|
16.9
|
1.0
|
|
OD1
|
C:ASP176
|
2.7
|
18.6
|
1.0
|
|
O
|
C:HIS180
|
2.7
|
17.7
|
1.0
|
|
O
|
C:ASP176
|
2.8
|
18.0
|
1.0
|
|
OG
|
C:SER199
|
2.8
|
20.3
|
1.0
|
|
N
|
C:ASP178
|
3.4
|
21.6
|
1.0
|
|
C
|
C:ASP176
|
3.4
|
23.8
|
1.0
|
|
CG
|
C:ASP176
|
3.4
|
20.6
|
1.0
|
|
C
|
C:ASP178
|
3.5
|
18.5
|
1.0
|
|
C
|
C:LEU200
|
3.6
|
21.5
|
1.0
|
|
C
|
C:HIS180
|
3.7
|
17.7
|
1.0
|
|
CB
|
C:ASP176
|
3.8
|
18.2
|
1.0
|
|
CA
|
C:ASP178
|
3.8
|
22.1
|
1.0
|
|
CB
|
C:HIS201
|
3.8
|
19.9
|
1.0
|
|
CB
|
C:ASP178
|
3.8
|
16.6
|
1.0
|
|
N
|
C:LEU200
|
3.9
|
17.4
|
1.0
|
|
C
|
C:LEU177
|
4.0
|
21.4
|
1.0
|
|
N
|
C:LEU177
|
4.0
|
18.4
|
1.0
|
|
CB
|
C:SER199
|
4.0
|
20.5
|
1.0
|
|
CA
|
C:LEU177
|
4.2
|
21.0
|
1.0
|
|
CA
|
C:ASP176
|
4.2
|
18.7
|
1.0
|
|
ND1
|
C:HIS201
|
4.3
|
15.5
|
1.0
|
|
CA
|
C:HIS201
|
4.3
|
17.9
|
1.0
|
|
CA
|
C:SER199
|
4.3
|
18.8
|
1.0
|
|
N
|
C:GLY182
|
4.4
|
20.0
|
1.0
|
|
OD2
|
C:ASP176
|
4.4
|
21.2
|
1.0
|
|
N
|
C:HIS201
|
4.4
|
17.0
|
1.0
|
|
N
|
C:HIS180
|
4.4
|
17.7
|
1.0
|
|
CA
|
C:HIS181
|
4.4
|
19.9
|
1.0
|
|
N
|
C:HIS181
|
4.4
|
16.1
|
1.0
|
|
C
|
C:SER199
|
4.5
|
21.8
|
1.0
|
|
CA
|
C:LEU200
|
4.5
|
17.7
|
1.0
|
|
O
|
C:HOH528
|
4.5
|
17.6
|
1.0
|
|
CG
|
C:HIS201
|
4.5
|
20.0
|
1.0
|
|
N
|
C:LEU179
|
4.6
|
18.1
|
1.0
|
|
C
|
C:LEU179
|
4.7
|
19.1
|
1.0
|
|
CA
|
C:HIS180
|
4.7
|
19.6
|
1.0
|
|
C
|
C:HIS181
|
4.7
|
19.2
|
1.0
|
|
O
|
C:LEU177
|
4.8
|
20.1
|
1.0
|
|
CE1
|
C:HIS142
|
4.9
|
18.9
|
1.0
|
|
Potassium binding site 6 out
of 8 in 4qa1
Go back to
Potassium Binding Sites List in 4qa1
Potassium binding site 6 out
of 8 in the Crystal Structure of A188T HDAC8 in Complex with M344
 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 A188T HDAC8 in Complex with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:K402
b:26.3
occ:1.00
|
O
|
C:PHE189
|
2.6
|
26.9
|
1.0
|
|
O
|
C:VAL195
|
2.6
|
29.1
|
1.0
|
|
O
|
C:THR192
|
2.8
|
29.1
|
1.0
|
|
O
|
C:HOH521
|
2.8
|
25.6
|
1.0
|
|
O
|
C:HOH527
|
2.9
|
24.1
|
1.0
|
|
O
|
C:TYR225
|
3.1
|
24.5
|
1.0
|
|
C
|
C:PHE189
|
3.6
|
23.0
|
1.0
|
|
CB
|
C:TYR225
|
3.7
|
23.6
|
1.0
|
|
C
|
C:TYR225
|
3.7
|
27.2
|
1.0
|
|
C
|
C:VAL195
|
3.8
|
23.6
|
1.0
|
|
C
|
C:THR192
|
4.0
|
29.7
|
1.0
|
|
OG
|
C:SER226
|
4.0
|
24.4
|
1.0
|
|
CB
|
C:PHE189
|
4.1
|
25.3
|
1.0
|
|
CA
|
C:SER190
|
4.3
|
25.3
|
0.7
|
|
CA
|
C:TYR225
|
4.3
|
26.8
|
1.0
|
|
CA
|
C:MET196
|
4.3
|
27.8
|
1.0
|
|
CA
|
C:SER190
|
4.3
|
25.4
|
0.3
|
|
OG1
|
C:THR192
|
4.4
|
31.3
|
0.5
|
|
N
|
C:SER190
|
4.4
|
22.9
|
1.0
|
|
O
|
C:SER190
|
4.4
|
28.1
|
1.0
|
|
C
|
C:SER190
|
4.4
|
30.3
|
1.0
|
|
CG2
|
C:THR192
|
4.5
|
30.8
|
0.5
|
|
N
|
C:SER226
|
4.5
|
25.8
|
1.0
|
|
N
|
C:THR192
|
4.5
|
27.0
|
1.0
|
|
CA
|
C:PHE189
|
4.5
|
25.5
|
1.0
|
|
N
|
C:MET196
|
4.5
|
23.7
|
1.0
|
|
N
|
C:THR197
|
4.6
|
25.9
|
1.0
|
|
O
|
C:GLY222
|
4.6
|
29.3
|
1.0
|
|
CA
|
C:THR192
|
4.8
|
25.9
|
0.5
|
|
CA
|
C:THR192
|
4.8
|
25.9
|
0.5
|
|
CA
|
C:VAL195
|
4.8
|
25.6
|
1.0
|
|
OG1
|
C:THR197
|
4.9
|
28.5
|
1.0
|
|
CA
|
C:GLY222
|
4.9
|
27.8
|
1.0
|
|
C
|
C:MET196
|
4.9
|
26.7
|
1.0
|
|
CA
|
C:SER226
|
5.0
|
21.2
|
1.0
|
|
CB
|
C:VAL195
|
5.0
|
24.0
|
1.0
|
|
N
|
C:VAL195
|
5.0
|
25.1
|
1.0
|
|
CG
|
C:TYR225
|
5.0
|
32.4
|
1.0
|
|
Potassium binding site 7 out
of 8 in 4qa1
Go back to
Potassium Binding Sites List in 4qa1
Potassium binding site 7 out
of 8 in the Crystal Structure of A188T HDAC8 in Complex with M344
 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 A188T HDAC8 in Complex with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:K401
b:16.3
occ:1.00
|
O
|
D:LEU200
|
2.6
|
14.0
|
1.0
|
|
O
|
D:ASP178
|
2.6
|
15.6
|
1.0
|
|
OD2
|
D:ASP176
|
2.7
|
18.8
|
1.0
|
|
O
|
D:ASP176
|
2.8
|
16.7
|
1.0
|
|
O
|
D:HIS180
|
2.8
|
18.0
|
1.0
|
|
OG
|
D:SER199
|
2.9
|
20.4
|
1.0
|
|
N
|
D:ASP178
|
3.4
|
17.0
|
1.0
|
|
CG
|
D:ASP176
|
3.4
|
16.9
|
1.0
|
|
C
|
D:ASP176
|
3.4
|
16.6
|
1.0
|
|
C
|
D:ASP178
|
3.5
|
16.0
|
1.0
|
|
C
|
D:LEU200
|
3.6
|
15.6
|
1.0
|
|
C
|
D:HIS180
|
3.7
|
16.9
|
1.0
|
|
CA
|
D:ASP178
|
3.8
|
17.2
|
1.0
|
|
CB
|
D:HIS201
|
3.8
|
16.6
|
1.0
|
|
CB
|
D:ASP176
|
3.8
|
15.7
|
1.0
|
|
CB
|
D:ASP178
|
3.8
|
15.9
|
1.0
|
|
C
|
D:LEU177
|
3.9
|
16.6
|
1.0
|
|
N
|
D:LEU200
|
4.0
|
17.6
|
1.0
|
|
N
|
D:LEU177
|
4.0
|
18.1
|
1.0
|
|
CB
|
D:SER199
|
4.1
|
15.5
|
1.0
|
|
CA
|
D:LEU177
|
4.2
|
16.8
|
1.0
|
|
CA
|
D:ASP176
|
4.2
|
17.4
|
1.0
|
|
OD1
|
D:ASP176
|
4.3
|
21.1
|
1.0
|
|
CA
|
D:HIS201
|
4.3
|
17.6
|
1.0
|
|
N
|
D:HIS181
|
4.4
|
16.1
|
1.0
|
|
N
|
D:HIS201
|
4.4
|
17.2
|
1.0
|
|
CA
|
D:HIS181
|
4.4
|
16.2
|
1.0
|
|
N
|
D:GLY182
|
4.4
|
16.0
|
1.0
|
|
N
|
D:HIS180
|
4.4
|
16.7
|
1.0
|
|
CA
|
D:SER199
|
4.4
|
20.0
|
1.0
|
|
ND1
|
D:HIS201
|
4.4
|
14.8
|
1.0
|
|
CA
|
D:LEU200
|
4.5
|
20.3
|
1.0
|
|
C
|
D:SER199
|
4.5
|
17.6
|
1.0
|
|
CG
|
D:HIS201
|
4.6
|
20.6
|
1.0
|
|
O
|
D:HOH503
|
4.6
|
19.1
|
1.0
|
|
C
|
D:LEU179
|
4.6
|
17.1
|
1.0
|
|
N
|
D:LEU179
|
4.7
|
17.6
|
1.0
|
|
CA
|
D:HIS180
|
4.7
|
15.8
|
1.0
|
|
C
|
D:HIS181
|
4.7
|
15.1
|
1.0
|
|
O
|
D:LEU177
|
4.8
|
17.6
|
1.0
|
|
CE1
|
D:HIS142
|
4.9
|
18.0
|
1.0
|
|
O
|
D:LEU179
|
5.0
|
13.2
|
1.0
|
|
Potassium binding site 8 out
of 8 in 4qa1
Go back to
Potassium Binding Sites List in 4qa1
Potassium binding site 8 out
of 8 in the Crystal Structure of A188T HDAC8 in Complex with M344
 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 A188T HDAC8 in Complex with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:K402
b:20.8
occ:1.00
|
O
|
D:VAL195
|
2.6
|
18.2
|
1.0
|
|
O
|
D:PHE189
|
2.7
|
21.6
|
1.0
|
|
O
|
D:HOH501
|
2.8
|
18.9
|
1.0
|
|
O
|
D:THR192
|
2.8
|
25.6
|
1.0
|
|
O
|
D:HOH502
|
2.8
|
15.7
|
1.0
|
|
O
|
D:TYR225
|
3.1
|
17.3
|
1.0
|
|
CB
|
D:TYR225
|
3.6
|
18.8
|
1.0
|
|
C
|
D:PHE189
|
3.6
|
17.6
|
1.0
|
|
C
|
D:TYR225
|
3.7
|
19.9
|
1.0
|
|
C
|
D:VAL195
|
3.8
|
16.8
|
1.0
|
|
OG
|
D:SER226
|
3.9
|
26.1
|
1.0
|
|
C
|
D:THR192
|
4.0
|
23.2
|
1.0
|
|
CB
|
D:PHE189
|
4.1
|
20.1
|
1.0
|
|
CA
|
D:TYR225
|
4.3
|
20.6
|
1.0
|
|
CA
|
D:SER190
|
4.4
|
20.2
|
0.5
|
|
CA
|
D:MET196
|
4.4
|
18.1
|
1.0
|
|
CG2
|
D:THR192
|
4.4
|
25.3
|
1.0
|
|
N
|
D:SER190
|
4.4
|
15.3
|
1.0
|
|
CA
|
D:SER190
|
4.4
|
20.2
|
0.5
|
|
N
|
D:SER226
|
4.5
|
18.4
|
1.0
|
|
N
|
D:THR192
|
4.5
|
21.6
|
1.0
|
|
C
|
D:SER190
|
4.5
|
23.2
|
1.0
|
|
CA
|
D:PHE189
|
4.5
|
19.3
|
1.0
|
|
O
|
D:SER190
|
4.5
|
23.9
|
1.0
|
|
N
|
D:MET196
|
4.6
|
17.3
|
1.0
|
|
O
|
D:GLY222
|
4.6
|
25.4
|
1.0
|
|
N
|
D:THR197
|
4.6
|
17.1
|
1.0
|
|
CA
|
D:THR192
|
4.8
|
21.7
|
1.0
|
|
CA
|
D:VAL195
|
4.8
|
15.9
|
1.0
|
|
CG
|
D:TYR225
|
4.9
|
22.1
|
1.0
|
|
CA
|
D:GLY222
|
4.9
|
22.3
|
1.0
|
|
CB
|
D:VAL195
|
4.9
|
13.2
|
1.0
|
|
N
|
D:VAL195
|
5.0
|
19.2
|
1.0
|
|
OG1
|
D:THR197
|
5.0
|
20.9
|
1.0
|
|
CA
|
D:SER226
|
5.0
|
15.6
|
1.0
|
|
C
|
D:MET196
|
5.0
|
18.9
|
1.0
|
|
N
|
D:SER193
|
5.0
|
21.8
|
1.0
|
|
Reference:
C.Decroos,
C.M.Bowman,
J.A.Moser,
K.E.Christianson,
M.A.Deardorff,
D.W.Christianson.
Compromised Structure and Function of HDAC8 Mutants Identified in Cornelia De Lange Syndrome Spectrum Disorders. Acs Chem.Biol. V. 9 2157 2014.
ISSN: ISSN 1554-8929
PubMed: 25075551
DOI: 10.1021/CB5003762
Page generated: Mon Aug 12 11:49:37 2024
|
