Potassium in PDB 7qvq: Human Telomeric Dna G-Quadruplex of A Gold(III) Complex Containing the 2,4,6-Tris (2-Pyrimidyl)-1,3,5-Triazine Ligand

The structure of Human Telomeric Dna G-Quadruplex of A Gold(III) Complex Containing the 2,4,6-Tris (2-Pyrimidyl)-1,3,5-Triazine Ligand, PDB code: 7qvq was solved by C.Bazzicalupi, U.Ryde, P.Gratteri, J.Bergmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.76 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	36.78, 71.53, 26.24, 90, 92.08, 90
R / Rfree (%)	26 / 28.7

The structure of Human Telomeric Dna G-Quadruplex of A Gold(III) Complex Containing the 2,4,6-Tris (2-Pyrimidyl)-1,3,5-Triazine Ligand also contains other interesting chemical elements:

Gold	(Au)	4 atoms
Chlorine	(Cl)	4 atoms

The binding sites of Potassium atom in the Human Telomeric Dna G-Quadruplex of A Gold(III) Complex Containing the 2,4,6-Tris (2-Pyrimidyl)-1,3,5-Triazine Ligand (pdb code 7qvq). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the Human Telomeric Dna G-Quadruplex of A Gold(III) Complex Containing the 2,4,6-Tris (2-Pyrimidyl)-1,3,5-Triazine Ligand, PDB code: 7qvq:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in the Human Telomeric Dna G-Quadruplex of A Gold(III) Complex Containing the 2,4,6-Tris (2-Pyrimidyl)-1,3,5-Triazine Ligand


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Human Telomeric Dna G-Quadruplex of A Gold(III) Complex Containing the 2,4,6-Tris (2-Pyrimidyl)-1,3,5-Triazine Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:K101 b:31.7 occ:1.00 O6 A:DG5 2.5 28.4 1.0 O6 A:DG23 2.5 32.8 1.0 O6 A:DG17 2.6 32.3 1.0 O6 A:DG11 2.7 25.7 1.0 O6 A:DG16 2.7 35.7 1.0 O6 A:DG10 2.7 34.9 1.0 O6 A:DG4 2.8 35.4 1.0 O6 A:DG22 2.8 34.5 1.0 K A:K102 3.4 26.4 1.0 C6 A:DG5 3.4 29.1 1.0 C6 A:DG23 3.5 31.7 1.0 C6 A:DG17 3.6 31.6 1.0 C6 A:DG4 3.6 33.4 1.0 C6 A:DG11 3.6 25.5 1.0 C6 A:DG10 3.6 31.1 1.0 C6 A:DG22 3.6 33.1 1.0 C6 A:DG16 3.7 31.8 1.0 N1 A:DG5 3.7 29.9 1.0 N1 A:DG23 3.8 32.1 1.0 N1 A:DG17 3.8 32.1 1.0 N1 A:DG11 3.9 26.9 1.0 N1 A:DG10 3.9 28.5 1.0 N1 A:DG22 3.9 30.7 1.0 N1 A:DG4 3.9 32.7 1.0 N1 A:DG16 4.1 30.1 1.0 AU1 A:I6K105 4.5 71.2 0.2 N8 A:I6K107 4.5 76.5 0.2 C1 A:I6K107 4.6 77.3 0.2 C1 A:I6K106 4.7 66.9 0.2 N8 A:I6K106 4.7 61.7 0.2 C5 A:DG5 4.7 30.7 1.0 N1 A:I6K106 4.7 68.9 0.2 C5 A:I6K106 4.7 57.7 0.2 N8 A:I6K104 4.8 48.0 0.2 C5 A:DG4 4.8 30.8 1.0 C5 A:DG23 4.8 30.4 1.0 C5 A:I6K104 4.8 44.4 0.2 C3 A:I6K106 4.8 66.2 0.2 C1 A:I6K104 4.8 51.4 0.2 N9 A:I6K106 4.8 61.2 0.2 C5 A:DG22 4.8 31.4 1.0 C5 A:DG16 4.9 31.4 1.0 N1 A:I6K104 4.9 53.0 0.2 C5 A:DG10 4.9 30.4 1.0 C5 A:DG17 4.9 30.8 1.0 N9 A:I6K104 4.9 46.6 0.2 C5 A:I6K107 4.9 74.0 0.2 C5 A:DG11 4.9 26.8 1.0 C3 A:I6K104 4.9 51.0 0.2 N1 A:I6K107 4.9 77.4 0.2 N3 A:I6K105 5.0 62.6 0.2 CL1 A:I6K105 5.0 60.8 0.2 C2 A:I6K107 5.0 76.6 0.2

Potassium binding site 2 out of 3 in the Human Telomeric Dna G-Quadruplex of A Gold(III) Complex Containing the 2,4,6-Tris (2-Pyrimidyl)-1,3,5-Triazine Ligand


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Human Telomeric Dna G-Quadruplex of A Gold(III) Complex Containing the 2,4,6-Tris (2-Pyrimidyl)-1,3,5-Triazine Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:K102 b:26.4 occ:1.00 O6 A:DG9 2.6 38.8 1.0 O6 A:DG22 2.7 34.5 1.0 O6 A:DG3 2.7 28.9 1.0 O6 A:DG4 2.7 35.4 1.0 O6 A:DG15 2.7 34.8 1.0 O6 A:DG21 2.7 33.6 1.0 O6 A:DG16 2.7 35.7 1.0 O6 A:DG10 3.0 34.9 1.0 K A:K101 3.4 31.7 1.0 C6 A:DG16 3.5 31.8 1.0 C6 A:DG9 3.6 33.8 1.0 C6 A:DG4 3.6 33.4 1.0 C6 A:DG3 3.6 29.4 1.0 C6 A:DG15 3.6 33.4 1.0 C6 A:DG22 3.6 33.1 1.0 C6 A:DG21 3.6 33.3 1.0 C6 A:DG10 3.7 31.1 1.0 K A:K103 3.9 24.0 0.5 N1 A:DG4 3.9 32.7 1.0 N1 A:DG10 3.9 28.5 1.0 N1 A:DG16 3.9 30.1 1.0 N1 A:DG15 3.9 34.2 1.0 N1 A:DG9 3.9 33.9 1.0 N1 A:DG22 3.9 30.7 1.0 N1 A:DG3 3.9 29.9 1.0 N1 A:DG21 4.0 33.6 1.0 C5 A:DG16 4.7 31.4 1.0 C5 A:DG3 4.8 30.4 1.0 C5 A:DG15 4.8 33.5 1.0 C5 A:DG22 4.8 31.4 1.0 C5 A:DG4 4.8 30.8 1.0 C5 A:DG9 4.8 32.8 1.0 C5 A:DG21 4.9 35.0 1.0 C5 A:DG10 4.9 30.4 1.0

Potassium binding site 3 out of 3 in the Human Telomeric Dna G-Quadruplex of A Gold(III) Complex Containing the 2,4,6-Tris (2-Pyrimidyl)-1,3,5-Triazine Ligand


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Human Telomeric Dna G-Quadruplex of A Gold(III) Complex Containing the 2,4,6-Tris (2-Pyrimidyl)-1,3,5-Triazine Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:K103 b:24.0 occ:0.50 O6 A:DG3 3.0 28.9 1.0 O6 A:DG15 3.2 34.8 1.0 O6 A:DG21 3.3 33.6 1.0 O6 A:DG9 3.3 38.8 1.0 C6 A:DG3 3.8 29.4 1.0 K A:K102 3.9 26.4 1.0 C6 A:DG15 3.9 33.4 1.0 C6 A:DG9 4.0 33.8 1.0 C6 A:DG21 4.0 33.3 1.0 N1 A:DG3 4.1 29.9 1.0 N1 A:DG15 4.2 34.2 1.0 N1 A:DG9 4.3 33.9 1.0 N1 A:DG21 4.3 33.6 1.0 C5 A:DG3 4.9 30.4 1.0

C.Bazzicalupi, A.Bonardi, T.Biver, M.Ferraroni, F.Papi, M.Savastano, P.Lombardi, P.Gratteri. Probing the Efficiency of 13-Pyridylalkyl Berberine Derivatives to Human Telomeric G-Quadruplexes Binding: Spectroscopic, Solid State and in Silico Analysis. Int J Mol Sci V. 23 2022.
ISSN: ESSN 1422-0067
PubMed: 36430540
DOI: 10.3390/IJMS232214061