Potassium in PDB 5hix: Cocrystal Structure of An Anti-Parallel Dna G-Quadruplex and A Tetra- Quinoline Foldamer

The structure of Cocrystal Structure of An Anti-Parallel Dna G-Quadruplex and A Tetra- Quinoline Foldamer, PDB code: 5hix was solved by P.K.Mandal, B.Baptiste, B.Langlois D'estaintot, B.Kauffmann, I.Huc, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.14 / 2.48
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	31.701, 31.701, 97.373, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 28.8

The binding sites of Potassium atom in the Cocrystal Structure of An Anti-Parallel Dna G-Quadruplex and A Tetra- Quinoline Foldamer (pdb code 5hix). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Cocrystal Structure of An Anti-Parallel Dna G-Quadruplex and A Tetra- Quinoline Foldamer, PDB code: 5hix:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the Cocrystal Structure of An Anti-Parallel Dna G-Quadruplex and A Tetra- Quinoline Foldamer


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Cocrystal Structure of An Anti-Parallel Dna G-Quadruplex and A Tetra- Quinoline Foldamer within 5.0Å range: probe atom residue distance (Å) B Occ A:K101 b:59.3 occ:1.00 O6 A:DG2 2.4 44.2 1.0 O6 A:DG11 2.5 42.7 1.0 O6 B:DG10 2.8 56.0 1.0 O6 B:DG2 3.1 73.8 1.0 O6 A:DG10 3.1 70.8 1.0 O6 B:DG3 3.1 69.6 1.0 K A:K104 3.3 80.2 1.0 C6 A:DG2 3.4 48.1 1.0 O6 B:DG11 3.6 56.8 1.0 C6 A:DG11 3.6 35.0 1.0 C6 B:DG10 3.6 41.4 1.0 O6 A:DG3 3.6 58.7 1.0 N1 B:DG10 3.7 37.4 1.0 K A:K103 3.7 60.6 1.0 C6 A:DG10 3.8 60.2 1.0 N1 A:DG2 3.8 48.0 1.0 N1 A:DG10 4.0 50.5 1.0 C6 B:DG2 4.0 52.2 1.0 N1 A:DG11 4.1 32.0 1.0 C6 B:DG3 4.2 51.1 1.0 N1 B:DG2 4.4 47.2 1.0 C6 B:DG11 4.4 49.2 1.0 C6 A:DG3 4.5 42.4 1.0 N1 B:DG3 4.5 48.9 1.0 C5 A:DG2 4.6 51.6 1.0 N1 B:DG11 4.7 42.3 1.0 C5 A:DG11 4.7 35.8 1.0 N1 A:DG3 4.8 47.3 1.0 O6 A:DG1 4.9 55.5 1.0 C2 B:DG10 4.9 36.1 1.0 C5 A:DG10 4.9 54.5 1.0 C5 B:DG10 5.0 32.9 1.0

Potassium binding site 2 out of 4 in the Cocrystal Structure of An Anti-Parallel Dna G-Quadruplex and A Tetra- Quinoline Foldamer


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Cocrystal Structure of An Anti-Parallel Dna G-Quadruplex and A Tetra- Quinoline Foldamer within 5.0Å range: probe atom residue distance (Å) B Occ A:K102 b:60.2 occ:1.00 O6 A:DG4 2.6 76.3 1.0 O2 A:DT7 2.7 54.5 1.0 O6 B:DG12 2.8 59.6 1.0 O6 A:DG9 2.9 59.4 1.0 O6 B:DG1 3.1 37.7 1.0 C6 A:DG4 3.3 77.5 1.0 O2 A:DT5 3.4 71.6 1.0 N1 A:DG4 3.4 73.8 1.0 N3 A:DT7 3.4 33.2 1.0 C2 A:DT7 3.5 36.8 1.0 K A:K103 3.5 60.6 1.0 C6 B:DG12 3.6 44.2 1.0 C6 A:DG9 3.6 51.5 1.0 N1 B:DG12 3.7 38.6 1.0 C6 B:DG1 3.8 39.3 1.0 N1 A:DG9 3.9 52.6 1.0 C2 A:DT5 4.1 55.0 1.0 N3 A:DT5 4.2 51.1 1.0 N1 B:DG1 4.2 37.9 1.0 O2 A:DT6 4.4 37.9 1.0 C5 A:DG4 4.5 74.4 1.0 C2 A:DG4 4.6 70.0 1.0 C4 A:DT7 4.7 35.9 1.0 C5 B:DG12 4.8 40.0 1.0 C5 A:DG9 4.8 43.5 1.0 N1 A:DT7 4.8 28.8 1.0 C5 B:DG1 4.9 36.6 1.0 C2 B:DG12 4.9 41.9 1.0

Potassium binding site 3 out of 4 in the Cocrystal Structure of An Anti-Parallel Dna G-Quadruplex and A Tetra- Quinoline Foldamer


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Cocrystal Structure of An Anti-Parallel Dna G-Quadruplex and A Tetra- Quinoline Foldamer within 5.0Å range: probe atom residue distance (Å) B Occ A:K103 b:60.6 occ:1.00 O6 A:DG9 2.3 59.4 1.0 O6 B:DG1 2.4 37.7 1.0 O6 A:DG10 2.7 70.8 1.0 O6 B:DG11 2.8 56.8 1.0 O6 A:DG3 2.8 58.7 1.0 O6 B:DG2 3.0 73.8 1.0 O6 B:DG12 3.1 59.6 1.0 C6 A:DG9 3.3 51.5 1.0 C6 B:DG1 3.4 39.3 1.0 O6 A:DG4 3.4 76.3 1.0 C6 A:DG10 3.4 60.2 1.0 K A:K102 3.5 60.2 1.0 N1 A:DG10 3.6 50.5 1.0 N1 B:DG1 3.7 37.9 1.0 K A:K101 3.7 59.3 1.0 N1 A:DG4 3.7 73.8 1.0 C6 A:DG3 3.8 42.4 1.0 C6 B:DG11 3.8 49.2 1.0 C6 B:DG2 3.9 52.2 1.0 N1 A:DG9 3.9 52.6 1.0 C6 A:DG4 4.0 77.5 1.0 C6 B:DG12 4.0 44.2 1.0 N1 A:DG3 4.1 47.3 1.0 N1 B:DG12 4.2 38.6 1.0 N1 B:DG2 4.2 47.2 1.0 N1 B:DG11 4.2 42.3 1.0 C5 A:DG9 4.5 43.5 1.0 C5 B:DG1 4.7 36.6 1.0 C5 A:DG10 4.7 54.5 1.0 C2 A:DG10 4.8 48.1 1.0 C2 A:DG4 4.9 70.0 1.0 O2 A:DT7 4.9 54.5 1.0

Potassium binding site 4 out of 4 in the Cocrystal Structure of An Anti-Parallel Dna G-Quadruplex and A Tetra- Quinoline Foldamer


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Cocrystal Structure of An Anti-Parallel Dna G-Quadruplex and A Tetra- Quinoline Foldamer within 5.0Å range: probe atom residue distance (Å) B Occ A:K104 b:80.2 occ:1.00 O6 B:DG4 2.6 66.8 1.0 O6 A:DG11 2.6 42.7 1.0 O6 A:DG12 2.7 54.5 1.0 O6 A:DG1 3.0 55.5 1.0 O6 B:DG9 3.1 29.6 1.0 K A:K101 3.3 59.3 1.0 O6 A:DG2 3.4 44.2 1.0 C6 A:DG11 3.5 35.0 1.0 O6 B:DG3 3.5 69.6 1.0 C6 B:DG4 3.6 54.4 1.0 O6 B:DG10 3.6 56.0 1.0 C6 A:DG12 3.7 35.4 1.0 N1 B:DG4 3.9 44.0 1.0 C6 A:DG1 4.0 49.3 1.0 N1 A:DG11 4.0 32.0 1.0 C6 B:DG9 4.0 33.4 1.0 C6 B:DG3 4.1 51.1 1.0 N1 A:DG12 4.2 35.5 1.0 N1 A:DG1 4.2 37.1 1.0 N1 B:DG3 4.2 48.9 1.0 N1 B:DG9 4.3 37.9 1.0 C6 A:DG2 4.3 48.1 1.0 C6 B:DG10 4.4 41.4 1.0 C5 A:DG11 4.5 35.8 1.0 N1 A:DG2 4.5 48.0 1.0 N1 B:DG10 4.6 37.4 1.0 C5 A:DG12 4.9 35.5 1.0 C5 B:DG4 4.9 57.2 1.0 N7 A:DG11 5.0 41.3 1.0

P.K.Mandal, B.Baptiste, B.Langlois D'estaintot, B.Kauffmann, I.Huc. Multivalent Interactions Between An Aromatic Helical Foldamer and A Dna G-Quadruplex in the Solid State. Chembiochem V. 17 1911 2016.
ISSN: ESSN 1439-7633
PubMed: 27472456
DOI: 10.1002/CBIC.201600281