Potassium in PDB 8t8t: Crystal Structure of TET25 in Complex with PYDH2 Ligand in P212121 Space Group
Protein crystallography data
The structure of Crystal Structure of TET25 in Complex with PYDH2 Ligand in P212121 Space Group, PDB code: 8t8t
was solved by
G.Lam,
L.A.Yatsunyk,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
25.96 /
1.62
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
29.624,
51.923,
88.064,
90,
90,
90
|
R / Rfree (%)
|
20.7 /
22.8
|
Potassium Binding Sites:
The binding sites of Potassium atom in the Crystal Structure of TET25 in Complex with PYDH2 Ligand in P212121 Space Group
(pdb code 8t8t). This binding sites where shown within
5.0 Angstroms radius around Potassium atom.
In total 6 binding sites of Potassium where determined in the
Crystal Structure of TET25 in Complex with PYDH2 Ligand in P212121 Space Group, PDB code: 8t8t:
Jump to Potassium binding site number:
1;
2;
3;
4;
5;
6;
Potassium binding site 1 out
of 6 in 8t8t
Go back to
Potassium Binding Sites List in 8t8t
Potassium binding site 1 out
of 6 in the Crystal Structure of TET25 in Complex with PYDH2 Ligand in P212121 Space Group
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 TET25 in Complex with PYDH2 Ligand in P212121 Space Group within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K101
b:25.4
occ:1.00
|
O2
|
A:DT15
|
2.7
|
30.7
|
1.0
|
O6
|
A:DG16
|
2.7
|
26.3
|
1.0
|
O2
|
A:DT14
|
2.8
|
29.2
|
1.0
|
O6
|
A:DG13
|
2.8
|
25.2
|
1.0
|
O6
|
A:DG4
|
2.9
|
19.6
|
1.0
|
O6
|
A:DG25
|
2.9
|
28.1
|
1.0
|
C2
|
A:DT15
|
3.3
|
32.8
|
1.0
|
C6
|
A:DG16
|
3.6
|
29.1
|
1.0
|
C6
|
A:DG13
|
3.6
|
26.0
|
1.0
|
K
|
A:K102
|
3.6
|
24.7
|
1.0
|
C2
|
A:DT14
|
3.7
|
30.5
|
1.0
|
C6
|
A:DG25
|
3.7
|
27.7
|
1.0
|
C6
|
A:DG4
|
3.8
|
23.6
|
1.0
|
N3
|
A:DT14
|
3.9
|
28.0
|
1.0
|
O4'
|
A:DT15
|
3.9
|
34.2
|
1.0
|
N1
|
A:DG16
|
3.9
|
24.8
|
1.0
|
N3
|
A:DT15
|
3.9
|
26.8
|
1.0
|
N1
|
A:DG4
|
4.0
|
19.6
|
1.0
|
N1
|
A:DG13
|
4.0
|
26.1
|
1.0
|
N1
|
A:DG25
|
4.1
|
24.2
|
1.0
|
N1
|
A:DT15
|
4.1
|
33.4
|
1.0
|
C1'
|
A:DT15
|
4.3
|
32.7
|
1.0
|
C5
|
A:DG13
|
4.6
|
26.6
|
1.0
|
C5
|
A:DG16
|
4.8
|
25.3
|
1.0
|
C5
|
A:DG25
|
4.8
|
27.8
|
1.0
|
N1
|
A:DT14
|
5.0
|
28.6
|
1.0
|
|
Potassium binding site 2 out
of 6 in 8t8t
Go back to
Potassium Binding Sites List in 8t8t
Potassium binding site 2 out
of 6 in the Crystal Structure of TET25 in Complex with PYDH2 Ligand in P212121 Space Group
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 TET25 in Complex with PYDH2 Ligand in P212121 Space Group within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K102
b:24.7
occ:1.00
|
O6
|
A:DG5
|
2.5
|
24.1
|
1.0
|
O6
|
A:DG12
|
2.6
|
24.6
|
1.0
|
O6
|
A:DG24
|
2.6
|
25.6
|
1.0
|
O6
|
A:DG17
|
2.7
|
26.1
|
1.0
|
O6
|
A:DG16
|
2.8
|
26.3
|
1.0
|
O6
|
A:DG13
|
2.9
|
25.2
|
1.0
|
O6
|
A:DG25
|
3.0
|
28.1
|
1.0
|
O6
|
A:DG4
|
3.0
|
19.6
|
1.0
|
O
|
A:HOH203
|
3.1
|
30.8
|
1.0
|
C6
|
A:DG12
|
3.4
|
27.5
|
1.0
|
C6
|
A:DG5
|
3.5
|
19.7
|
1.0
|
C6
|
A:DG24
|
3.5
|
24.2
|
1.0
|
K
|
A:K101
|
3.6
|
25.4
|
1.0
|
C6
|
A:DG17
|
3.6
|
26.4
|
1.0
|
N1
|
A:DG5
|
3.7
|
21.2
|
1.0
|
C6
|
A:DG16
|
3.7
|
29.1
|
1.0
|
C6
|
A:DG4
|
3.7
|
23.6
|
1.0
|
N1
|
A:DG12
|
3.8
|
23.3
|
1.0
|
C6
|
A:DG13
|
3.8
|
26.0
|
1.0
|
C6
|
A:DG25
|
3.8
|
27.7
|
1.0
|
N1
|
A:DG24
|
3.8
|
21.4
|
1.0
|
N1
|
A:DG17
|
3.9
|
27.9
|
1.0
|
N1
|
A:DG25
|
4.0
|
24.2
|
1.0
|
N1
|
A:DG13
|
4.1
|
26.1
|
1.0
|
N1
|
A:DG4
|
4.1
|
19.6
|
1.0
|
N1
|
A:DG16
|
4.1
|
24.8
|
1.0
|
C5
|
A:DG12
|
4.6
|
23.8
|
1.0
|
C5
|
A:DG24
|
4.8
|
24.8
|
1.0
|
C5
|
A:DG5
|
4.8
|
23.9
|
1.0
|
C5
|
A:DG4
|
4.8
|
21.4
|
1.0
|
C5
|
A:DG16
|
4.9
|
25.3
|
1.0
|
C5
|
A:DG17
|
4.9
|
26.4
|
1.0
|
|
Potassium binding site 3 out
of 6 in 8t8t
Go back to
Potassium Binding Sites List in 8t8t
Potassium binding site 3 out
of 6 in the Crystal Structure of TET25 in Complex with PYDH2 Ligand in P212121 Space Group
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 TET25 in Complex with PYDH2 Ligand in P212121 Space Group within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K103
b:23.4
occ:1.00
|
O6
|
A:DG11
|
2.7
|
25.6
|
1.0
|
O6
|
A:DG18
|
2.7
|
26.7
|
1.0
|
O6
|
A:DG23
|
2.7
|
27.7
|
1.0
|
O6
|
A:DG6
|
2.7
|
20.0
|
1.0
|
O6
|
A:DG10
|
2.8
|
30.4
|
1.0
|
O6
|
A:DG19
|
2.8
|
26.8
|
1.0
|
O6
|
A:DG22
|
2.8
|
26.7
|
1.0
|
O6
|
A:DG7
|
2.9
|
23.9
|
1.0
|
C6
|
A:DG6
|
3.5
|
24.8
|
1.0
|
C6
|
A:DG18
|
3.5
|
30.7
|
1.0
|
C6
|
A:DG11
|
3.6
|
25.8
|
1.0
|
C6
|
A:DG10
|
3.6
|
27.1
|
1.0
|
C6
|
A:DG23
|
3.6
|
25.7
|
1.0
|
C6
|
A:DG22
|
3.7
|
24.2
|
1.0
|
C6
|
A:DG19
|
3.7
|
26.5
|
1.0
|
N1
|
A:DG6
|
3.8
|
20.7
|
1.0
|
C6
|
A:DG7
|
3.8
|
27.8
|
1.0
|
N1
|
A:DG18
|
3.8
|
25.8
|
1.0
|
N1
|
A:DG11
|
3.9
|
26.7
|
1.0
|
N1
|
A:DG10
|
3.9
|
27.0
|
1.0
|
O
|
A:HOH202
|
3.9
|
29.3
|
1.0
|
N1
|
A:DG23
|
3.9
|
23.8
|
1.0
|
N1
|
A:DG19
|
3.9
|
25.8
|
1.0
|
N1
|
A:DG22
|
4.0
|
25.3
|
1.0
|
N1
|
A:DG7
|
4.1
|
25.4
|
1.0
|
C5
|
A:DG18
|
4.7
|
29.1
|
1.0
|
C5
|
A:DG6
|
4.7
|
25.2
|
1.0
|
C5
|
A:DG22
|
4.8
|
25.2
|
1.0
|
C5
|
A:DG10
|
4.8
|
25.3
|
1.0
|
C5
|
A:DG11
|
4.9
|
25.9
|
1.0
|
C5
|
A:DG23
|
4.9
|
22.8
|
1.0
|
C2
|
A:DG6
|
5.0
|
25.1
|
1.0
|
|
Potassium binding site 4 out
of 6 in 8t8t
Go back to
Potassium Binding Sites List in 8t8t
Potassium binding site 4 out
of 6 in the Crystal Structure of TET25 in Complex with PYDH2 Ligand in P212121 Space Group
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 TET25 in Complex with PYDH2 Ligand in P212121 Space Group within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K101
b:20.0
occ:1.00
|
O6
|
B:DG16
|
2.6
|
26.6
|
1.0
|
O6
|
B:DG13
|
2.7
|
22.5
|
1.0
|
O2
|
B:DT14
|
2.7
|
24.5
|
1.0
|
O2
|
B:DT15
|
2.8
|
24.0
|
1.0
|
O6
|
B:DG4
|
2.9
|
19.9
|
1.0
|
O6
|
B:DG25
|
3.0
|
21.3
|
1.0
|
C2
|
B:DT15
|
3.3
|
23.3
|
1.0
|
C6
|
B:DG13
|
3.4
|
24.3
|
1.0
|
C6
|
B:DG16
|
3.6
|
26.1
|
1.0
|
K
|
B:K102
|
3.6
|
18.6
|
1.0
|
C2
|
B:DT14
|
3.6
|
25.8
|
1.0
|
C6
|
B:DG4
|
3.7
|
21.3
|
1.0
|
N1
|
B:DG13
|
3.8
|
22.3
|
1.0
|
C6
|
B:DG25
|
3.8
|
19.4
|
1.0
|
N3
|
B:DT14
|
3.8
|
23.4
|
1.0
|
N1
|
B:DG4
|
3.9
|
21.3
|
1.0
|
N3
|
B:DT15
|
3.9
|
26.7
|
1.0
|
N1
|
B:DG16
|
3.9
|
21.2
|
1.0
|
O4'
|
B:DT15
|
4.0
|
26.4
|
1.0
|
N1
|
B:DT15
|
4.1
|
25.6
|
1.0
|
N1
|
B:DG25
|
4.1
|
18.6
|
1.0
|
C1'
|
B:DT15
|
4.3
|
27.3
|
1.0
|
C5
|
B:DG13
|
4.5
|
24.8
|
1.0
|
C5
|
B:DG16
|
4.7
|
25.6
|
1.0
|
N1
|
B:DT14
|
4.9
|
27.1
|
1.0
|
C5
|
B:DG25
|
4.9
|
26.0
|
1.0
|
C2
|
B:DG13
|
5.0
|
27.4
|
1.0
|
|
Potassium binding site 5 out
of 6 in 8t8t
Go back to
Potassium Binding Sites List in 8t8t
Potassium binding site 5 out
of 6 in the Crystal Structure of TET25 in Complex with PYDH2 Ligand in P212121 Space Group
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 TET25 in Complex with PYDH2 Ligand in P212121 Space Group within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K102
b:18.6
occ:1.00
|
O6
|
B:DG5
|
2.6
|
21.6
|
1.0
|
O6
|
B:DG24
|
2.7
|
21.2
|
1.0
|
O6
|
B:DG17
|
2.7
|
23.5
|
1.0
|
O6
|
B:DG4
|
2.7
|
19.9
|
1.0
|
O6
|
B:DG16
|
2.8
|
26.6
|
1.0
|
O6
|
B:DG12
|
2.8
|
24.4
|
1.0
|
O6
|
B:DG25
|
2.8
|
21.3
|
1.0
|
O6
|
B:DG13
|
3.1
|
22.5
|
1.0
|
C6
|
B:DG5
|
3.5
|
20.6
|
1.0
|
C6
|
B:DG24
|
3.5
|
23.2
|
1.0
|
C6
|
B:DG4
|
3.5
|
21.3
|
1.0
|
C6
|
B:DG12
|
3.6
|
24.6
|
1.0
|
K
|
B:K101
|
3.6
|
20.0
|
1.0
|
C6
|
B:DG17
|
3.6
|
23.3
|
1.0
|
C6
|
B:DG25
|
3.7
|
19.4
|
1.0
|
C6
|
B:DG16
|
3.7
|
26.1
|
1.0
|
N1
|
B:DG5
|
3.8
|
22.5
|
1.0
|
N1
|
B:DG25
|
3.8
|
18.6
|
1.0
|
N1
|
B:DG24
|
3.8
|
21.7
|
1.0
|
N1
|
B:DG12
|
3.8
|
19.6
|
1.0
|
N1
|
B:DG17
|
3.9
|
25.6
|
1.0
|
C6
|
B:DG13
|
3.9
|
24.3
|
1.0
|
N1
|
B:DG4
|
4.0
|
21.3
|
1.0
|
N1
|
B:DG13
|
4.0
|
22.3
|
1.0
|
N1
|
B:DG16
|
4.1
|
21.2
|
1.0
|
C5
|
B:DG4
|
4.6
|
19.1
|
1.0
|
C5
|
B:DG12
|
4.8
|
24.5
|
1.0
|
C5
|
B:DG24
|
4.8
|
22.3
|
1.0
|
C5
|
B:DG5
|
4.8
|
20.4
|
1.0
|
C5
|
B:DG16
|
4.8
|
25.6
|
1.0
|
C5
|
B:DG17
|
4.9
|
26.1
|
1.0
|
C5
|
B:DG25
|
4.9
|
26.0
|
1.0
|
|
Potassium binding site 6 out
of 6 in 8t8t
Go back to
Potassium Binding Sites List in 8t8t
Potassium binding site 6 out
of 6 in the Crystal Structure of TET25 in Complex with PYDH2 Ligand in P212121 Space Group
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 TET25 in Complex with PYDH2 Ligand in P212121 Space Group within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K103
b:27.5
occ:1.00
|
O6
|
B:DG18
|
2.6
|
28.5
|
1.0
|
O6
|
B:DG22
|
2.6
|
30.3
|
1.0
|
O6
|
B:DG19
|
2.6
|
30.4
|
1.0
|
O6
|
B:DG6
|
2.7
|
25.6
|
1.0
|
O6
|
B:DG23
|
2.7
|
26.9
|
1.0
|
O6
|
B:DG10
|
2.8
|
30.3
|
1.0
|
O6
|
B:DG7
|
2.8
|
27.4
|
1.0
|
O6
|
B:DG11
|
2.8
|
25.1
|
1.0
|
C6
|
B:DG18
|
3.4
|
29.4
|
1.0
|
C6
|
B:DG22
|
3.4
|
29.5
|
1.0
|
C6
|
B:DG6
|
3.6
|
25.0
|
1.0
|
C6
|
B:DG19
|
3.6
|
32.5
|
1.0
|
C6
|
B:DG10
|
3.6
|
27.8
|
1.0
|
C6
|
B:DG23
|
3.7
|
27.2
|
1.0
|
N1
|
B:DG18
|
3.7
|
28.8
|
1.0
|
C6
|
B:DG11
|
3.7
|
25.6
|
1.0
|
N1
|
B:DG22
|
3.8
|
32.2
|
1.0
|
C6
|
B:DG7
|
3.8
|
27.1
|
1.0
|
N1
|
B:DG19
|
3.8
|
31.2
|
1.0
|
N1
|
B:DG6
|
3.9
|
24.1
|
1.0
|
N1
|
B:DG23
|
3.9
|
24.6
|
1.0
|
N1
|
B:DG11
|
4.0
|
27.5
|
1.0
|
N1
|
B:DG10
|
4.0
|
26.0
|
1.0
|
N1
|
B:DG7
|
4.1
|
23.1
|
1.0
|
C5
|
B:DG18
|
4.6
|
29.7
|
1.0
|
C5
|
B:DG22
|
4.6
|
27.6
|
1.0
|
C5
|
B:DG6
|
4.7
|
23.7
|
1.0
|
C5
|
B:DG10
|
4.7
|
28.6
|
1.0
|
C5
|
B:DG19
|
4.9
|
35.4
|
1.0
|
C5
|
B:DG23
|
5.0
|
27.1
|
1.0
|
|
Reference:
G.Lam,
L.A.Yatunsyk.
Crystal Structure of TET25 in Complex with PYDH2 Ligand in P212121 Space Group To Be Published.
Page generated: Sat Sep 28 22:14:51 2024
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