Potassium in PDB 3ce5: A Bimolecular Parallel-Stranded Human Telomeric Quadruplex in Complex with A 3,6,9-Trisubstituted Acridine Molecule BRACO19

The structure of A Bimolecular Parallel-Stranded Human Telomeric Quadruplex in Complex with A 3,6,9-Trisubstituted Acridine Molecule BRACO19, PDB code: 3ce5 was solved by N.H.Campbell, G.N.Parkinson, A.P.Reszka, S.Neidle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.17 / 2.50
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	70.338, 70.338, 34.293, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.3

The binding sites of Potassium atom in the A Bimolecular Parallel-Stranded Human Telomeric Quadruplex in Complex with A 3,6,9-Trisubstituted Acridine Molecule BRACO19 (pdb code 3ce5). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the A Bimolecular Parallel-Stranded Human Telomeric Quadruplex in Complex with A 3,6,9-Trisubstituted Acridine Molecule BRACO19, PDB code: 3ce5:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the A Bimolecular Parallel-Stranded Human Telomeric Quadruplex in Complex with A 3,6,9-Trisubstituted Acridine Molecule BRACO19


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of A Bimolecular Parallel-Stranded Human Telomeric Quadruplex in Complex with A 3,6,9-Trisubstituted Acridine Molecule BRACO19 within 5.0Å range: probe atom residue distance (Å) B Occ A:K25 b:32.1 occ:1.00 O6 A:DG9 2.8 20.9 1.0 O6 B:DG21 2.8 15.7 1.0 O6 A:DG10 2.9 21.0 1.0 O6 B:DG22 2.9 19.9 1.0 O6 B:DG15 3.0 22.8 1.0 O6 A:DG4 3.0 20.3 1.0 O6 A:DG3 3.1 28.4 1.0 O6 B:DG16 3.1 20.0 1.0 C6 A:DG9 3.6 19.7 1.0 K A:K26 3.6 35.0 1.0 C6 B:DG21 3.7 11.8 1.0 C6 A:DG10 3.8 15.4 1.0 C6 B:DG15 3.8 17.1 1.0 C6 B:DG22 3.8 14.8 1.0 N1 B:DG21 3.8 12.0 1.0 N1 A:DG9 3.9 14.3 1.0 C6 A:DG3 3.9 21.1 1.0 C6 A:DG4 3.9 14.2 1.0 N1 A:DG3 4.0 17.3 1.0 N1 B:DG15 4.0 12.1 1.0 N1 B:DG22 4.0 17.8 1.0 N1 A:DG4 4.0 9.6 1.0 N1 A:DG10 4.1 7.6 1.0 C6 B:DG16 4.1 14.9 1.0 N1 B:DG16 4.3 12.6 1.0 N6 A:DA2 4.5 34.6 1.0 C5 A:DG9 4.8 16.3 1.0 C6 A:DA2 4.8 29.8 1.0 C5 B:DG21 5.0 13.0 1.0 C5 A:DG10 5.0 13.2 1.0

Potassium binding site 2 out of 2 in the A Bimolecular Parallel-Stranded Human Telomeric Quadruplex in Complex with A 3,6,9-Trisubstituted Acridine Molecule BRACO19


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of A Bimolecular Parallel-Stranded Human Telomeric Quadruplex in Complex with A 3,6,9-Trisubstituted Acridine Molecule BRACO19 within 5.0Å range: probe atom residue distance (Å) B Occ A:K26 b:35.0 occ:1.00 O6 A:DG5 2.6 18.0 1.0 O6 B:DG23 2.8 24.0 1.0 O6 B:DG17 2.8 13.3 1.0 O6 B:DG22 2.9 19.9 1.0 O6 A:DG4 3.1 20.3 1.0 O6 A:DG10 3.1 21.0 1.0 O6 B:DG16 3.1 20.0 1.0 O6 A:DG11 3.2 24.7 1.0 C6 A:DG5 3.5 13.2 1.0 K A:K25 3.6 32.1 1.0 C6 B:DG22 3.6 14.8 1.0 C6 B:DG23 3.7 15.7 1.0 C6 B:DG17 3.8 12.8 1.0 C6 A:DG4 3.8 14.2 1.0 N1 A:DG5 3.8 9.7 1.0 N1 B:DG22 3.9 17.8 1.0 N1 B:DG17 3.9 14.5 1.0 N1 A:DG11 3.9 13.7 1.0 N1 B:DG23 3.9 17.4 1.0 C6 B:DG16 3.9 14.9 1.0 C6 A:DG11 3.9 17.9 1.0 C6 A:DG10 4.0 15.4 1.0 N1 A:DG4 4.0 9.6 1.0 O A:HOH52 4.1 21.1 1.0 N1 B:DG16 4.2 12.6 1.0 N1 A:DG10 4.3 7.6 1.0 C5 A:DG5 4.8 14.3 1.0 C5 B:DG22 4.8 16.9 1.0 C5 A:DG4 4.9 15.8 1.0 C5 B:DG23 5.0 16.1 1.0

N.H.Campbell, G.N.Parkinson, A.P.Reszka, S.Neidle. Structural Basis of Dna Quadruplex Recognition By An Acridine Drug. J.Am.Chem.Soc. V. 130 6722 2008.
ISSN: ISSN 0002-7863
PubMed: 18457389
DOI: 10.1021/JA8016973