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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:

Magnesium (Mg) 2 atoms

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

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