Potassium in PDB 5tht: Crystal Structure of G303A HDAC8 in Complex with M344
Enzymatic activity of Crystal Structure of G303A HDAC8 in Complex with M344
All present enzymatic activity of Crystal Structure of G303A HDAC8 in Complex with M344:
3.5.1.98;
Protein crystallography data
The structure of Crystal Structure of G303A HDAC8 in Complex with M344, PDB code: 5tht
was solved by
N.J.Porter,
D.W.Christianson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
97.66 /
2.41
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
97.700,
83.810,
99.780,
90.00,
91.72,
90.00
|
|
R / Rfree (%)
|
18 /
21.2
|
Other elements in 5tht:
The structure of Crystal Structure of G303A 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 G303A HDAC8 in Complex with M344
(pdb code 5tht). 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 G303A HDAC8 in Complex with M344, PDB code: 5tht:
Jump to Potassium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Potassium binding site 1 out
of 8 in 5tht
Go back to
Potassium Binding Sites List in 5tht
Potassium binding site 1 out
of 8 in the Crystal Structure of G303A 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 G303A HDAC8 in Complex with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K403
b:16.4
occ:1.00
|
O
|
A:ASP178
|
2.7
|
13.1
|
1.0
|
|
O
|
A:HIS180
|
2.7
|
11.1
|
1.0
|
|
O
|
A:LEU200
|
2.7
|
12.5
|
1.0
|
|
OD1
|
A:ASP176
|
2.8
|
16.4
|
1.0
|
|
O
|
A:ASP176
|
2.9
|
13.8
|
1.0
|
|
OG
|
A:SER199
|
2.9
|
13.4
|
1.0
|
|
CG
|
A:ASP176
|
3.4
|
17.0
|
1.0
|
|
N
|
A:ASP178
|
3.4
|
15.7
|
1.0
|
|
C
|
A:ASP176
|
3.4
|
17.8
|
1.0
|
|
C
|
A:ASP178
|
3.5
|
12.7
|
1.0
|
|
C
|
A:LEU200
|
3.6
|
12.0
|
1.0
|
|
CB
|
A:ASP176
|
3.7
|
16.7
|
1.0
|
|
CB
|
A:HIS201
|
3.8
|
12.4
|
1.0
|
|
C
|
A:HIS180
|
3.8
|
10.7
|
1.0
|
|
CA
|
A:ASP178
|
3.8
|
12.8
|
1.0
|
|
N
|
A:LEU200
|
3.9
|
12.7
|
1.0
|
|
C
|
A:LEU177
|
4.0
|
13.6
|
1.0
|
|
CB
|
A:ASP178
|
4.0
|
11.5
|
1.0
|
|
N
|
A:LEU177
|
4.1
|
15.5
|
1.0
|
|
CB
|
A:SER199
|
4.1
|
16.7
|
1.0
|
|
CA
|
A:ASP176
|
4.2
|
14.7
|
1.0
|
|
OD2
|
A:ASP176
|
4.2
|
17.7
|
1.0
|
|
CA
|
A:LEU177
|
4.2
|
15.0
|
1.0
|
|
ND1
|
A:HIS201
|
4.3
|
14.3
|
1.0
|
|
CA
|
A:HIS201
|
4.3
|
13.7
|
1.0
|
|
CA
|
A:SER199
|
4.3
|
16.2
|
1.0
|
|
N
|
A:HIS201
|
4.4
|
10.1
|
1.0
|
|
C
|
A:SER199
|
4.4
|
13.8
|
1.0
|
|
N
|
A:GLY182
|
4.4
|
12.5
|
1.0
|
|
CA
|
A:LEU200
|
4.4
|
13.4
|
1.0
|
|
O
|
A:HOH503
|
4.5
|
13.1
|
1.0
|
|
CA
|
A:HIS181
|
4.5
|
12.8
|
1.0
|
|
N
|
A:HIS180
|
4.5
|
11.5
|
1.0
|
|
CG
|
A:HIS201
|
4.5
|
13.0
|
1.0
|
|
N
|
A:HIS181
|
4.5
|
11.6
|
1.0
|
|
N
|
A:LEU179
|
4.6
|
18.2
|
1.0
|
|
C
|
A:LEU179
|
4.7
|
13.0
|
1.0
|
|
O
|
A:LEU177
|
4.7
|
14.6
|
1.0
|
|
CA
|
A:HIS180
|
4.8
|
14.5
|
1.0
|
|
C
|
A:HIS181
|
4.8
|
13.3
|
1.0
|
|
CE1
|
A:HIS142
|
4.9
|
16.5
|
1.0
|
|
O
|
A:LEU179
|
5.0
|
11.9
|
1.0
|
|
Potassium binding site 2 out
of 8 in 5tht
Go back to
Potassium Binding Sites List in 5tht
Potassium binding site 2 out
of 8 in the Crystal Structure of G303A 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 G303A HDAC8 in Complex with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K404
b:17.7
occ:1.00
|
O
|
A:PHE189
|
2.6
|
18.4
|
1.0
|
|
O
|
A:VAL195
|
2.6
|
19.5
|
1.0
|
|
O
|
A:HOH505
|
2.8
|
15.8
|
1.0
|
|
O
|
A:THR192
|
2.9
|
25.4
|
1.0
|
|
O
|
A:HOH543
|
3.0
|
15.1
|
1.0
|
|
O
|
A:TYR225
|
3.0
|
17.6
|
1.0
|
|
C
|
A:PHE189
|
3.6
|
18.0
|
1.0
|
|
CB
|
A:TYR225
|
3.6
|
17.2
|
1.0
|
|
C
|
A:TYR225
|
3.7
|
19.2
|
1.0
|
|
C
|
A:VAL195
|
3.9
|
18.5
|
1.0
|
|
OG
|
A:SER226
|
4.0
|
21.2
|
1.0
|
|
CB
|
A:PHE189
|
4.1
|
13.1
|
1.0
|
|
C
|
A:THR192
|
4.1
|
25.0
|
1.0
|
|
CA
|
A:TYR225
|
4.3
|
21.6
|
1.0
|
|
CA
|
A:SER190
|
4.3
|
18.3
|
1.0
|
|
O
|
A:GLY222
|
4.4
|
21.1
|
1.0
|
|
CA
|
A:MET196
|
4.4
|
15.7
|
1.0
|
|
N
|
A:SER190
|
4.4
|
16.5
|
1.0
|
|
CG2
|
A:THR192
|
4.5
|
17.9
|
1.0
|
|
CA
|
A:PHE189
|
4.5
|
19.5
|
1.0
|
|
N
|
A:SER226
|
4.5
|
15.4
|
1.0
|
|
N
|
A:MET196
|
4.6
|
16.3
|
1.0
|
|
N
|
A:THR192
|
4.6
|
22.5
|
1.0
|
|
C
|
A:SER190
|
4.6
|
19.6
|
1.0
|
|
N
|
A:THR197
|
4.6
|
15.9
|
1.0
|
|
OG1
|
A:THR197
|
4.7
|
22.7
|
1.0
|
|
O
|
A:SER190
|
4.8
|
23.9
|
1.0
|
|
CA
|
A:GLY222
|
4.8
|
20.0
|
1.0
|
|
CA
|
A:THR192
|
4.9
|
23.1
|
1.0
|
|
CG
|
A:TYR225
|
4.9
|
19.9
|
1.0
|
|
CA
|
A:VAL195
|
4.9
|
18.4
|
1.0
|
|
CA
|
A:SER226
|
5.0
|
20.6
|
1.0
|
|
C
|
A:MET196
|
5.0
|
19.7
|
1.0
|
|
Potassium binding site 3 out
of 8 in 5tht
Go back to
Potassium Binding Sites List in 5tht
Potassium binding site 3 out
of 8 in the Crystal Structure of G303A 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 G303A HDAC8 in Complex with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K403
b:17.1
occ:1.00
|
O
|
B:ASP178
|
2.7
|
11.8
|
1.0
|
|
O
|
B:LEU200
|
2.7
|
12.6
|
1.0
|
|
O
|
B:HIS180
|
2.8
|
14.0
|
1.0
|
|
OD1
|
B:ASP176
|
2.8
|
18.1
|
1.0
|
|
O
|
B:ASP176
|
2.8
|
14.1
|
1.0
|
|
OG
|
B:SER199
|
3.0
|
16.1
|
1.0
|
|
CG
|
B:ASP176
|
3.3
|
16.9
|
1.0
|
|
C
|
B:ASP176
|
3.4
|
16.2
|
1.0
|
|
N
|
B:ASP178
|
3.4
|
16.9
|
1.0
|
|
C
|
B:ASP178
|
3.5
|
13.1
|
1.0
|
|
C
|
B:LEU200
|
3.6
|
14.8
|
1.0
|
|
CB
|
B:ASP176
|
3.6
|
19.6
|
1.0
|
|
C
|
B:HIS180
|
3.8
|
14.3
|
1.0
|
|
CB
|
B:HIS201
|
3.8
|
12.7
|
1.0
|
|
CA
|
B:ASP178
|
3.8
|
13.3
|
1.0
|
|
N
|
B:LEU200
|
3.9
|
15.3
|
1.0
|
|
C
|
B:LEU177
|
3.9
|
16.9
|
1.0
|
|
N
|
B:LEU177
|
3.9
|
15.4
|
1.0
|
|
CB
|
B:ASP178
|
4.0
|
12.7
|
1.0
|
|
CB
|
B:SER199
|
4.1
|
16.9
|
1.0
|
|
CA
|
B:ASP176
|
4.1
|
17.5
|
1.0
|
|
CA
|
B:LEU177
|
4.1
|
19.3
|
1.0
|
|
OD2
|
B:ASP176
|
4.2
|
20.2
|
1.0
|
|
ND1
|
B:HIS201
|
4.3
|
15.7
|
1.0
|
|
CA
|
B:HIS201
|
4.3
|
11.6
|
1.0
|
|
CA
|
B:SER199
|
4.3
|
17.1
|
1.0
|
|
N
|
B:HIS201
|
4.3
|
12.0
|
1.0
|
|
C
|
B:SER199
|
4.4
|
16.3
|
1.0
|
|
CA
|
B:LEU200
|
4.4
|
14.7
|
1.0
|
|
N
|
B:GLY182
|
4.4
|
14.1
|
1.0
|
|
CA
|
B:HIS181
|
4.5
|
15.5
|
1.0
|
|
N
|
B:HIS180
|
4.5
|
9.5
|
1.0
|
|
N
|
B:HIS181
|
4.5
|
12.3
|
1.0
|
|
CG
|
B:HIS201
|
4.5
|
15.8
|
1.0
|
|
O
|
B:HOH503
|
4.6
|
10.3
|
1.0
|
|
N
|
B:LEU179
|
4.7
|
16.8
|
1.0
|
|
O
|
B:LEU177
|
4.7
|
16.3
|
1.0
|
|
C
|
B:LEU179
|
4.7
|
15.2
|
1.0
|
|
CA
|
B:HIS180
|
4.8
|
13.6
|
1.0
|
|
C
|
B:HIS181
|
4.8
|
14.5
|
1.0
|
|
CE1
|
B:HIS142
|
4.9
|
15.6
|
1.0
|
|
Potassium binding site 4 out
of 8 in 5tht
Go back to
Potassium Binding Sites List in 5tht
Potassium binding site 4 out
of 8 in the Crystal Structure of G303A 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 G303A HDAC8 in Complex with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K404
b:17.7
occ:1.00
|
O
|
B:PHE189
|
2.6
|
17.4
|
1.0
|
|
O
|
B:VAL195
|
2.7
|
20.2
|
1.0
|
|
O
|
B:HOH506
|
2.8
|
17.6
|
1.0
|
|
O
|
B:HOH537
|
3.0
|
13.9
|
1.0
|
|
O
|
B:TYR225
|
3.0
|
19.2
|
1.0
|
|
O
|
B:THR192
|
3.0
|
24.1
|
1.0
|
|
C
|
B:PHE189
|
3.6
|
15.8
|
1.0
|
|
C
|
B:TYR225
|
3.7
|
21.7
|
1.0
|
|
CB
|
B:TYR225
|
3.7
|
19.4
|
1.0
|
|
OG
|
B:SER226
|
3.8
|
24.7
|
1.0
|
|
C
|
B:VAL195
|
3.9
|
20.9
|
1.0
|
|
CB
|
B:PHE189
|
4.0
|
15.4
|
1.0
|
|
C
|
B:THR192
|
4.2
|
26.1
|
1.0
|
|
CA
|
B:SER190
|
4.3
|
18.4
|
1.0
|
|
N
|
B:SER190
|
4.3
|
14.4
|
1.0
|
|
CA
|
B:TYR225
|
4.4
|
21.6
|
1.0
|
|
CA
|
B:MET196
|
4.4
|
21.8
|
1.0
|
|
CA
|
B:PHE189
|
4.5
|
15.7
|
1.0
|
|
CG2
|
B:THR192
|
4.5
|
17.8
|
1.0
|
|
O
|
B:GLY222
|
4.5
|
24.4
|
1.0
|
|
N
|
B:SER226
|
4.5
|
18.8
|
1.0
|
|
C
|
B:SER190
|
4.6
|
22.7
|
1.0
|
|
N
|
B:THR197
|
4.6
|
18.8
|
1.0
|
|
N
|
B:MET196
|
4.6
|
22.8
|
1.0
|
|
N
|
B:THR192
|
4.6
|
16.0
|
1.0
|
|
OG1
|
B:THR197
|
4.8
|
17.8
|
1.0
|
|
O
|
B:SER190
|
4.8
|
23.1
|
1.0
|
|
CA
|
B:SER226
|
4.9
|
19.9
|
1.0
|
|
CA
|
B:GLY222
|
4.9
|
22.2
|
1.0
|
|
CA
|
B:THR192
|
4.9
|
22.6
|
1.0
|
|
CB
|
B:SER226
|
5.0
|
18.3
|
1.0
|
|
CA
|
B:VAL195
|
5.0
|
22.0
|
1.0
|
|
C
|
B:MET196
|
5.0
|
18.4
|
1.0
|
|
Potassium binding site 5 out
of 8 in 5tht
Go back to
Potassium Binding Sites List in 5tht
Potassium binding site 5 out
of 8 in the Crystal Structure of G303A 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 G303A HDAC8 in Complex with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:K403
b:18.1
occ:1.00
|
O
|
C:ASP178
|
2.7
|
13.8
|
1.0
|
|
O
|
C:HIS180
|
2.8
|
19.1
|
1.0
|
|
OD1
|
C:ASP176
|
2.8
|
15.2
|
1.0
|
|
O
|
C:LEU200
|
2.9
|
23.0
|
1.0
|
|
O
|
C:ASP176
|
2.9
|
14.3
|
1.0
|
|
OG
|
C:SER199
|
2.9
|
17.5
|
1.0
|
|
CG
|
C:ASP176
|
3.3
|
18.1
|
1.0
|
|
C
|
C:ASP176
|
3.4
|
17.1
|
1.0
|
|
N
|
C:ASP178
|
3.5
|
17.2
|
1.0
|
|
C
|
C:ASP178
|
3.6
|
14.7
|
1.0
|
|
C
|
C:LEU200
|
3.7
|
18.6
|
1.0
|
|
CB
|
C:ASP176
|
3.7
|
12.3
|
1.0
|
|
CB
|
C:HIS201
|
3.8
|
17.7
|
1.0
|
|
C
|
C:HIS180
|
3.8
|
20.1
|
1.0
|
|
CA
|
C:ASP178
|
3.9
|
15.1
|
1.0
|
|
N
|
C:LEU200
|
4.0
|
22.0
|
1.0
|
|
CB
|
C:SER199
|
4.0
|
15.5
|
1.0
|
|
C
|
C:LEU177
|
4.0
|
17.2
|
1.0
|
|
CB
|
C:ASP178
|
4.1
|
13.2
|
1.0
|
|
N
|
C:LEU177
|
4.1
|
14.8
|
1.0
|
|
OD2
|
C:ASP176
|
4.1
|
22.1
|
1.0
|
|
CA
|
C:ASP176
|
4.2
|
12.4
|
1.0
|
|
CA
|
C:SER199
|
4.2
|
17.6
|
1.0
|
|
CA
|
C:LEU177
|
4.3
|
15.7
|
1.0
|
|
CA
|
C:HIS201
|
4.3
|
18.1
|
1.0
|
|
C
|
C:SER199
|
4.3
|
23.0
|
1.0
|
|
N
|
C:GLY182
|
4.3
|
21.6
|
1.0
|
|
N
|
C:HIS201
|
4.4
|
19.0
|
1.0
|
|
CA
|
C:HIS181
|
4.4
|
20.2
|
1.0
|
|
ND1
|
C:HIS201
|
4.4
|
17.3
|
1.0
|
|
CA
|
C:LEU200
|
4.5
|
17.6
|
1.0
|
|
N
|
C:HIS181
|
4.5
|
21.2
|
1.0
|
|
N
|
C:HIS180
|
4.6
|
16.0
|
1.0
|
|
O
|
C:HOH503
|
4.6
|
15.8
|
1.0
|
|
CG
|
C:HIS201
|
4.6
|
18.9
|
1.0
|
|
N
|
C:LEU179
|
4.7
|
14.4
|
1.0
|
|
C
|
C:LEU179
|
4.7
|
16.6
|
1.0
|
|
CE1
|
C:HIS142
|
4.7
|
18.0
|
1.0
|
|
C
|
C:HIS181
|
4.8
|
18.3
|
1.0
|
|
O
|
C:LEU177
|
4.8
|
18.0
|
1.0
|
|
CA
|
C:HIS180
|
4.8
|
16.0
|
1.0
|
|
O
|
C:LEU179
|
5.0
|
17.4
|
1.0
|
|
Potassium binding site 6 out
of 8 in 5tht
Go back to
Potassium Binding Sites List in 5tht
Potassium binding site 6 out
of 8 in the Crystal Structure of G303A 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 G303A HDAC8 in Complex with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:K404
b:23.6
occ:1.00
|
O
|
C:PHE189
|
2.6
|
22.4
|
1.0
|
|
O
|
C:VAL195
|
2.7
|
17.3
|
1.0
|
|
O
|
C:HOH502
|
2.8
|
22.3
|
1.0
|
|
O
|
C:HOH528
|
2.9
|
21.1
|
1.0
|
|
O
|
C:TYR225
|
3.0
|
22.4
|
1.0
|
|
O
|
C:THR192
|
3.0
|
25.2
|
1.0
|
|
C
|
C:PHE189
|
3.6
|
20.8
|
1.0
|
|
CB
|
C:TYR225
|
3.7
|
24.2
|
1.0
|
|
C
|
C:TYR225
|
3.7
|
26.5
|
1.0
|
|
OG
|
C:SER226
|
3.7
|
29.7
|
1.0
|
|
C
|
C:VAL195
|
3.9
|
21.8
|
1.0
|
|
CB
|
C:PHE189
|
4.1
|
18.9
|
1.0
|
|
C
|
C:THR192
|
4.2
|
25.5
|
1.0
|
|
CA
|
C:SER190
|
4.3
|
21.3
|
1.0
|
|
CA
|
C:TYR225
|
4.3
|
25.6
|
1.0
|
|
N
|
C:SER190
|
4.3
|
17.7
|
1.0
|
|
O
|
C:GLY222
|
4.4
|
28.2
|
1.0
|
|
CA
|
C:MET196
|
4.4
|
19.0
|
1.0
|
|
N
|
C:SER226
|
4.5
|
23.8
|
1.0
|
|
CA
|
C:PHE189
|
4.5
|
19.3
|
1.0
|
|
C
|
C:SER190
|
4.6
|
25.2
|
1.0
|
|
N
|
C:MET196
|
4.6
|
21.5
|
1.0
|
|
CG2
|
C:THR192
|
4.6
|
18.0
|
1.0
|
|
O
|
C:SER190
|
4.7
|
30.1
|
1.0
|
|
N
|
C:THR197
|
4.7
|
18.1
|
1.0
|
|
N
|
C:THR192
|
4.7
|
24.0
|
1.0
|
|
OG1
|
C:THR197
|
4.8
|
23.7
|
1.0
|
|
CB
|
C:SER226
|
4.9
|
18.7
|
1.0
|
|
CA
|
C:SER226
|
4.9
|
22.5
|
1.0
|
|
CA
|
C:GLY222
|
4.9
|
30.1
|
1.0
|
|
CA
|
C:VAL195
|
5.0
|
17.8
|
1.0
|
|
CG
|
C:TYR225
|
5.0
|
22.5
|
1.0
|
|
Potassium binding site 7 out
of 8 in 5tht
Go back to
Potassium Binding Sites List in 5tht
Potassium binding site 7 out
of 8 in the Crystal Structure of G303A 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 G303A HDAC8 in Complex with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:K403
b:20.5
occ:1.00
|
O
|
D:ASP178
|
2.7
|
25.0
|
1.0
|
|
OD1
|
D:ASP176
|
2.8
|
16.1
|
1.0
|
|
O
|
D:ASP176
|
2.8
|
16.1
|
1.0
|
|
O
|
D:HIS180
|
2.8
|
22.7
|
1.0
|
|
O
|
D:LEU200
|
2.9
|
23.2
|
1.0
|
|
OG
|
D:SER199
|
3.0
|
20.6
|
1.0
|
|
CG
|
D:ASP176
|
3.4
|
20.7
|
1.0
|
|
C
|
D:ASP176
|
3.4
|
19.0
|
1.0
|
|
N
|
D:ASP178
|
3.5
|
23.0
|
1.0
|
|
C
|
D:ASP178
|
3.6
|
23.2
|
1.0
|
|
C
|
D:LEU200
|
3.7
|
22.3
|
1.0
|
|
CB
|
D:ASP176
|
3.7
|
17.8
|
1.0
|
|
CB
|
D:HIS201
|
3.7
|
22.8
|
1.0
|
|
C
|
D:HIS180
|
3.8
|
23.7
|
1.0
|
|
CA
|
D:ASP178
|
3.9
|
19.8
|
1.0
|
|
N
|
D:LEU200
|
4.0
|
16.6
|
1.0
|
|
C
|
D:LEU177
|
4.0
|
22.1
|
1.0
|
|
CB
|
D:ASP178
|
4.1
|
18.8
|
1.0
|
|
N
|
D:LEU177
|
4.1
|
17.2
|
1.0
|
|
CB
|
D:SER199
|
4.1
|
18.6
|
1.0
|
|
CA
|
D:ASP176
|
4.2
|
14.1
|
1.0
|
|
OD2
|
D:ASP176
|
4.2
|
21.3
|
1.0
|
|
CA
|
D:LEU177
|
4.2
|
17.2
|
1.0
|
|
CA
|
D:HIS201
|
4.2
|
20.4
|
1.0
|
|
N
|
D:GLY182
|
4.3
|
23.8
|
1.0
|
|
N
|
D:HIS201
|
4.3
|
24.1
|
1.0
|
|
ND1
|
D:HIS201
|
4.4
|
22.0
|
1.0
|
|
CA
|
D:SER199
|
4.4
|
17.5
|
1.0
|
|
CA
|
D:HIS181
|
4.4
|
25.6
|
1.0
|
|
C
|
D:SER199
|
4.5
|
20.7
|
1.0
|
|
N
|
D:HIS181
|
4.5
|
23.3
|
1.0
|
|
CG
|
D:HIS201
|
4.5
|
23.9
|
1.0
|
|
CA
|
D:LEU200
|
4.5
|
20.5
|
1.0
|
|
N
|
D:HIS180
|
4.5
|
20.7
|
1.0
|
|
O
|
D:HOH505
|
4.6
|
17.7
|
1.0
|
|
C
|
D:HIS181
|
4.7
|
21.8
|
1.0
|
|
C
|
D:LEU179
|
4.7
|
26.7
|
1.0
|
|
N
|
D:LEU179
|
4.7
|
19.5
|
1.0
|
|
CE1
|
D:HIS142
|
4.7
|
23.6
|
1.0
|
|
O
|
D:LEU177
|
4.8
|
22.1
|
1.0
|
|
CA
|
D:HIS180
|
4.8
|
25.4
|
1.0
|
|
O
|
D:LEU179
|
5.0
|
21.8
|
1.0
|
|
Potassium binding site 8 out
of 8 in 5tht
Go back to
Potassium Binding Sites List in 5tht
Potassium binding site 8 out
of 8 in the Crystal Structure of G303A 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 G303A HDAC8 in Complex with M344 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:K404
b:26.5
occ:1.00
|
O
|
D:PHE189
|
2.6
|
24.9
|
1.0
|
|
O
|
D:VAL195
|
2.6
|
23.0
|
1.0
|
|
O
|
D:HOH502
|
2.8
|
24.7
|
1.0
|
|
O
|
D:TYR225
|
2.9
|
30.1
|
1.0
|
|
O
|
D:THR192
|
3.0
|
30.3
|
1.0
|
|
O
|
D:HOH525
|
3.1
|
23.9
|
1.0
|
|
CB
|
D:TYR225
|
3.5
|
30.6
|
1.0
|
|
C
|
D:PHE189
|
3.6
|
25.9
|
1.0
|
|
C
|
D:TYR225
|
3.6
|
29.6
|
1.0
|
|
C
|
D:VAL195
|
3.9
|
24.9
|
1.0
|
|
OG
|
D:SER226
|
3.9
|
27.7
|
1.0
|
|
CB
|
D:PHE189
|
4.2
|
21.6
|
1.0
|
|
C
|
D:THR192
|
4.2
|
27.6
|
1.0
|
|
CA
|
D:TYR225
|
4.2
|
27.3
|
1.0
|
|
CA
|
D:SER190
|
4.2
|
28.0
|
1.0
|
|
CA
|
D:MET196
|
4.3
|
25.6
|
1.0
|
|
N
|
D:SER190
|
4.3
|
22.2
|
1.0
|
|
O
|
D:GLY222
|
4.4
|
31.5
|
1.0
|
|
N
|
D:SER226
|
4.5
|
26.5
|
1.0
|
|
CA
|
D:PHE189
|
4.5
|
27.3
|
1.0
|
|
C
|
D:SER190
|
4.5
|
30.3
|
1.0
|
|
N
|
D:MET196
|
4.5
|
24.3
|
1.0
|
|
CG2
|
D:THR192
|
4.6
|
21.0
|
1.0
|
|
O
|
D:SER190
|
4.7
|
26.0
|
1.0
|
|
N
|
D:THR197
|
4.7
|
25.2
|
1.0
|
|
N
|
D:THR192
|
4.7
|
25.4
|
1.0
|
|
CG
|
D:TYR225
|
4.8
|
28.5
|
1.0
|
|
CA
|
D:GLY222
|
4.9
|
32.2
|
1.0
|
|
CA
|
D:SER226
|
5.0
|
27.4
|
1.0
|
|
CA
|
D:VAL195
|
5.0
|
21.3
|
1.0
|
|
C
|
D:MET196
|
5.0
|
24.2
|
1.0
|
|
CG2
|
D:THR197
|
5.0
|
20.5
|
1.0
|
|
Reference:
N.J.Porter,
N.H.Christianson,
C.Decroos,
D.W.Christianson.
Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8. Biochemistry V. 55 6718 2016.
ISSN: ISSN 1520-4995
PubMed: 27933794
DOI: 10.1021/ACS.BIOCHEM.6B01014
Page generated: Mon Aug 12 14:35:43 2024
|
