Potassium in PDB 8qn2: Helical Foldamers As Selective G-Quadruplex Ligands
Protein crystallography data
The structure of Helical Foldamers As Selective G-Quadruplex Ligands, PDB code: 8qn2
was solved by
A.Koenig,
S.Thore,
V.Gabelica,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
30.50 /
2.51
|
Space group
|
P 42
|
Cell size a, b, c (Å), α, β, γ (°)
|
32.71,
32.71,
61.01,
90,
90,
90
|
R / Rfree (%)
|
27.2 /
30.8
|
Other elements in 8qn2:
The structure of Helical Foldamers As Selective G-Quadruplex Ligands also contains other interesting chemical elements:
Potassium Binding Sites:
The binding sites of Potassium atom in the Helical Foldamers As Selective G-Quadruplex Ligands
(pdb code 8qn2). This binding sites where shown within
5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the
Helical Foldamers As Selective G-Quadruplex Ligands, PDB code: 8qn2:
Jump to Potassium binding site number:
1;
2;
3;
Potassium binding site 1 out
of 3 in 8qn2
Go back to
Potassium Binding Sites List in 8qn2
Potassium binding site 1 out
of 3 in the Helical Foldamers As Selective G-Quadruplex Ligands
 Mono view
 Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 1 of Helical Foldamers As Selective G-Quadruplex Ligands within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K101
b:42.1
occ:1.00
|
O6
|
A:DG4
|
2.7
|
40.4
|
1.0
|
O6
|
A:DG19
|
2.7
|
44.1
|
1.0
|
O6
|
A:DG9
|
2.7
|
54.4
|
1.0
|
O6
|
A:DG18
|
2.8
|
41.8
|
1.0
|
O6
|
A:DG8
|
2.9
|
65.9
|
1.0
|
O6
|
A:DG3
|
2.9
|
37.2
|
1.0
|
O6
|
A:DG14
|
3.0
|
63.1
|
1.0
|
H1
|
A:DG19
|
3.2
|
49.5
|
1.0
|
H1
|
A:DG4
|
3.3
|
67.4
|
1.0
|
H1
|
A:DG3
|
3.3
|
59.4
|
1.0
|
K
|
A:K102
|
3.3
|
41.5
|
1.0
|
O6
|
A:DG13
|
3.4
|
38.5
|
1.0
|
H1
|
A:DG9
|
3.4
|
58.7
|
1.0
|
C6
|
A:DG19
|
3.6
|
45.2
|
1.0
|
C6
|
A:DG4
|
3.6
|
46.3
|
1.0
|
C6
|
A:DG3
|
3.6
|
42.3
|
1.0
|
H1
|
A:DG8
|
3.7
|
61.8
|
1.0
|
C6
|
A:DG9
|
3.7
|
47.7
|
1.0
|
N1
|
A:DG19
|
3.7
|
41.2
|
1.0
|
N1
|
A:DG3
|
3.7
|
49.5
|
1.0
|
C6
|
A:DG8
|
3.8
|
49.0
|
1.0
|
N1
|
A:DG4
|
3.8
|
56.1
|
1.0
|
H1
|
A:DG14
|
3.8
|
67.5
|
1.0
|
C6
|
A:DG18
|
3.8
|
57.0
|
1.0
|
C6
|
A:DG14
|
3.9
|
60.2
|
1.0
|
N1
|
A:DG9
|
3.9
|
48.9
|
1.0
|
H1
|
A:DG13
|
4.0
|
59.0
|
1.0
|
N1
|
A:DG8
|
4.1
|
51.5
|
1.0
|
H1
|
A:DG18
|
4.2
|
64.7
|
1.0
|
H
|
B:QUK108
|
4.2
|
79.8
|
1.0
|
C6
|
A:DG13
|
4.2
|
58.7
|
1.0
|
N1
|
A:DG14
|
4.3
|
56.2
|
1.0
|
N1
|
A:DG18
|
4.4
|
53.9
|
1.0
|
N1
|
A:DG13
|
4.5
|
49.1
|
1.0
|
N11
|
B:QUK107
|
4.6
|
67.2
|
1.0
|
C10
|
B:QUK107
|
4.7
|
64.8
|
1.0
|
C5
|
A:DG3
|
4.9
|
43.1
|
1.0
|
C5
|
A:DG4
|
4.9
|
54.2
|
1.0
|
C5
|
A:DG19
|
4.9
|
40.0
|
1.0
|
C2
|
A:DG3
|
4.9
|
50.6
|
1.0
|
N
|
B:QUK108
|
4.9
|
66.5
|
1.0
|
C5
|
A:DG18
|
4.9
|
42.2
|
1.0
|
C5
|
A:DG8
|
4.9
|
47.5
|
1.0
|
C7
|
B:QUK107
|
5.0
|
62.9
|
1.0
|
|
Potassium binding site 2 out
of 3 in 8qn2
Go back to
Potassium Binding Sites List in 8qn2
Potassium binding site 2 out
of 3 in the Helical Foldamers As Selective G-Quadruplex Ligands
 Mono view
 Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 2 of Helical Foldamers As Selective G-Quadruplex Ligands within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K102
b:41.5
occ:1.00
|
O6
|
A:DG7
|
2.7
|
56.0
|
1.0
|
O6
|
A:DG3
|
2.8
|
37.2
|
1.0
|
O6
|
A:DG18
|
2.8
|
41.8
|
1.0
|
O6
|
A:DG12
|
2.8
|
47.0
|
1.0
|
O6
|
A:DG2
|
2.9
|
45.0
|
1.0
|
O6
|
A:DG17
|
3.0
|
53.9
|
1.0
|
O6
|
A:DG8
|
3.0
|
65.9
|
1.0
|
H1
|
A:DG3
|
3.2
|
59.4
|
1.0
|
O6
|
A:DG13
|
3.3
|
38.5
|
1.0
|
K
|
A:K101
|
3.3
|
42.1
|
1.0
|
H1
|
A:DG8
|
3.4
|
61.8
|
1.0
|
C6
|
A:DG3
|
3.5
|
42.3
|
1.0
|
K
|
A:K103
|
3.5
|
29.0
|
0.4
|
H1
|
A:DG12
|
3.6
|
59.9
|
1.0
|
C6
|
A:DG7
|
3.6
|
57.0
|
1.0
|
C6
|
A:DG12
|
3.6
|
46.8
|
1.0
|
H1
|
A:DG17
|
3.7
|
56.5
|
1.0
|
N1
|
A:DG3
|
3.7
|
49.5
|
1.0
|
H1
|
A:DG7
|
3.7
|
54.5
|
1.0
|
H1
|
A:DG2
|
3.7
|
55.1
|
1.0
|
C6
|
A:DG2
|
3.7
|
44.8
|
1.0
|
C6
|
A:DG8
|
3.8
|
49.0
|
1.0
|
C6
|
A:DG17
|
3.8
|
52.2
|
1.0
|
C6
|
A:DG18
|
3.8
|
57.0
|
1.0
|
N1
|
A:DG8
|
3.9
|
51.5
|
1.0
|
N1
|
A:DG12
|
3.9
|
49.9
|
1.0
|
H1
|
A:DG13
|
4.0
|
59.0
|
1.0
|
N1
|
A:DG7
|
4.0
|
45.4
|
1.0
|
H1
|
A:DG18
|
4.0
|
64.7
|
1.0
|
N1
|
A:DG2
|
4.1
|
45.9
|
1.0
|
N1
|
A:DG17
|
4.1
|
47.1
|
1.0
|
C6
|
A:DG13
|
4.2
|
58.7
|
1.0
|
N1
|
A:DG18
|
4.4
|
53.9
|
1.0
|
N1
|
A:DG13
|
4.4
|
49.1
|
1.0
|
C5
|
A:DG7
|
4.8
|
48.2
|
1.0
|
C5
|
A:DG12
|
4.8
|
58.5
|
1.0
|
C5
|
A:DG3
|
4.8
|
43.1
|
1.0
|
C5
|
A:DG2
|
4.9
|
49.6
|
1.0
|
C2
|
A:DG3
|
4.9
|
50.6
|
1.0
|
C5
|
A:DG8
|
5.0
|
47.5
|
1.0
|
|
Potassium binding site 3 out
of 3 in 8qn2
Go back to
Potassium Binding Sites List in 8qn2
Potassium binding site 3 out
of 3 in the Helical Foldamers As Selective G-Quadruplex Ligands
 Mono view
 Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 3 of Helical Foldamers As Selective G-Quadruplex Ligands within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K103
b:29.0
occ:0.44
|
O6
|
A:DG7
|
2.6
|
56.0
|
1.0
|
O6
|
A:DG12
|
2.7
|
47.0
|
1.0
|
O6
|
A:DG2
|
2.9
|
45.0
|
1.0
|
O6
|
A:DG17
|
3.3
|
53.9
|
1.0
|
H1
|
A:DG7
|
3.3
|
54.5
|
1.0
|
C6
|
A:DG7
|
3.4
|
57.0
|
1.0
|
H1
|
A:DG2
|
3.5
|
55.1
|
1.0
|
K
|
A:K102
|
3.5
|
41.5
|
1.0
|
C6
|
A:DG12
|
3.7
|
46.8
|
1.0
|
N1
|
A:DG7
|
3.7
|
45.4
|
1.0
|
C6
|
A:DG2
|
3.7
|
44.8
|
1.0
|
H1
|
A:DG12
|
3.8
|
59.9
|
1.0
|
H1
|
A:DG17
|
3.9
|
56.5
|
1.0
|
N1
|
A:DG2
|
3.9
|
45.9
|
1.0
|
N1
|
A:DG12
|
4.1
|
49.9
|
1.0
|
C6
|
A:DG17
|
4.2
|
52.2
|
1.0
|
N1
|
A:DG17
|
4.4
|
47.1
|
1.0
|
C5
|
A:DG7
|
4.5
|
48.2
|
1.0
|
C5
|
A:DG12
|
4.9
|
58.5
|
1.0
|
C2
|
A:DG7
|
4.9
|
52.2
|
1.0
|
C5
|
A:DG2
|
5.0
|
49.6
|
1.0
|
|
Reference:
A.Koenig,
V.Laffile,
E.Largy,
S.Thore,
C.Mackereth,
Y.Ferrand,
V.Gabelica.
Helical Foldamers As Selective G-Quadruplex Ligands To Be Published.
Page generated: Sat Aug 9 17:29:01 2025
|