Potassium in PDB 3et8: A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6054

The structure of A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6054, PDB code: 3et8 was solved by N.H.Campbell, G.Parkinson, S.Neidle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.15 / 2.45
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.395, 42.589, 27.142, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 27.7

The binding sites of Potassium atom in the A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6054 (pdb code 3et8). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6054, PDB code: 3et8:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6054


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6054 within 5.0Å range: probe atom residue distance (Å) B Occ A:K26 b:25.5 occ:1.00 O6 A:DG1 2.7 14.3 1.0 O6 A:DG11 2.7 14.4 1.0 O6 B:DG21 2.8 13.8 1.0 O6 B:DG16 2.8 14.6 1.0 O6 A:DG12 2.8 12.5 1.0 O6 B:DG22 2.9 18.9 1.0 O6 A:DG2 3.0 11.7 1.0 O6 B:DG15 3.0 13.2 1.0 K A:K27 3.4 22.3 1.0 C6 A:DG11 3.5 11.9 1.0 C6 A:DG1 3.6 11.1 1.0 K B:K25 3.6 23.0 1.0 C6 B:DG21 3.7 10.1 1.0 C6 B:DG22 3.7 14.7 1.0 C6 B:DG15 3.7 8.7 1.0 C6 B:DG16 3.8 14.4 1.0 C6 A:DG12 3.8 9.9 1.0 N1 A:DG11 3.9 10.2 1.0 C6 A:DG2 3.9 10.5 1.0 N1 B:DG22 3.9 13.0 1.0 N1 A:DG1 4.0 11.9 1.0 N1 B:DG15 4.0 8.4 1.0 N1 B:DG21 4.0 9.4 1.0 N1 B:DG16 4.0 12.7 1.0 N1 A:DG12 4.1 10.0 1.0 N1 A:DG2 4.2 10.7 1.0 C5 A:DG11 4.7 10.7 1.0 C5 A:DG1 4.9 10.1 1.0 C5 B:DG21 4.9 10.2 1.0 C5 B:DG15 4.9 9.0 1.0 C5 B:DG22 4.9 13.1 1.0

Potassium binding site 2 out of 4 in the A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6054


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6054 within 5.0Å range: probe atom residue distance (Å) B Occ A:K27 b:22.3 occ:1.00 O6 A:DG2 2.7 11.7 1.0 O6 A:DG10 2.7 16.9 1.0 O6 A:DG3 2.8 15.2 1.0 O6 A:DG11 2.8 14.4 1.0 O6 B:DG15 2.8 13.2 1.0 O6 B:DG14 2.9 11.4 1.0 O6 B:DG23 2.9 12.4 1.0 O6 B:DG22 3.0 18.9 1.0 K A:K26 3.4 25.5 1.0 C6 A:DG2 3.6 10.5 1.0 K A:K28 3.6 19.5 1.0 C6 B:DG14 3.6 8.3 1.0 C6 A:DG10 3.7 15.0 1.0 C6 B:DG23 3.8 8.8 1.0 C6 A:DG3 3.8 14.0 1.0 C6 B:DG22 3.8 14.7 1.0 C6 A:DG11 3.8 11.9 1.0 C6 B:DG15 3.8 8.7 1.0 N1 A:DG2 3.9 10.7 1.0 N1 B:DG14 3.9 7.0 1.0 N1 B:DG22 3.9 13.0 1.0 N1 B:DG23 4.0 9.0 1.0 N1 A:DG10 4.2 14.3 1.0 N1 B:DG15 4.2 8.4 1.0 N1 A:DG3 4.2 13.5 1.0 N1 A:DG11 4.2 10.2 1.0 C5 A:DG2 4.8 10.0 1.0 C5 B:DG14 4.8 7.8 1.0 C5 A:DG10 4.9 14.5 1.0 C5 A:DG3 4.9 13.0 1.0 C5 B:DG23 5.0 10.2 1.0

Potassium binding site 3 out of 4 in the A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6054


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6054 within 5.0Å range: probe atom residue distance (Å) B Occ A:K28 b:19.5 occ:1.00 O6 A:DG4 2.6 13.3 1.0 O6 A:DG9 2.6 18.3 1.0 O6 B:DG24 2.7 10.5 1.0 O6 A:DG3 2.9 15.2 1.0 O6 A:DG10 3.0 16.9 1.0 O6 B:DG13 3.0 16.7 1.0 O6 B:DG14 3.0 11.4 1.0 O6 B:DG23 3.1 12.4 1.0 C6 A:DG9 3.6 17.2 1.0 C6 A:DG4 3.6 11.6 1.0 C6 B:DG24 3.6 10.2 1.0 K A:K27 3.6 22.3 1.0 C6 A:DG3 3.7 14.0 1.0 C6 B:DG23 3.8 8.8 1.0 C6 B:DG13 3.8 14.5 1.0 N1 A:DG9 3.8 17.8 1.0 C6 A:DG10 3.9 15.0 1.0 N1 B:DG24 3.9 9.4 1.0 C6 B:DG14 3.9 8.3 1.0 N1 A:DG4 3.9 10.7 1.0 N1 B:DG13 3.9 12.4 1.0 N1 B:DG23 4.0 9.0 1.0 N1 A:DG3 4.1 13.5 1.0 N1 B:DG14 4.1 7.0 1.0 N1 A:DG10 4.3 14.3 1.0 O2 A:DT6 4.7 15.2 1.0 C5 A:DG3 4.8 13.0 1.0 C5 A:DG9 4.9 16.8 1.0 C5 B:DG24 4.9 10.7 1.0 C5 A:DG4 4.9 10.4 1.0 C5 B:DG23 5.0 10.2 1.0 C5 A:DG10 5.0 14.5 1.0

Potassium binding site 4 out of 4 in the A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6054


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6054 within 5.0Å range: probe atom residue distance (Å) B Occ B:K25 b:23.0 occ:1.00 O B:HOH42 2.5 18.4 1.0 O2 B:DT19 2.6 13.7 1.0 O6 A:DG12 2.8 12.5 1.0 O2 B:DT17 2.9 12.3 1.0 O6 B:DG21 3.0 13.8 1.0 O6 B:DG16 3.1 14.6 1.0 O6 A:DG1 3.2 14.3 1.0 C2 B:DT19 3.6 10.8 1.0 K A:K26 3.6 25.5 1.0 C6 A:DG12 3.6 9.9 1.0 C6 B:DG21 3.7 10.1 1.0 C2 B:DT17 3.8 11.1 1.0 C6 B:DG16 3.8 14.4 1.0 N1 B:DG21 3.9 9.4 1.0 N3 B:DT17 3.9 10.1 1.0 N3 B:DT19 4.0 8.8 1.0 C6 A:DG1 4.0 11.1 1.0 N1 A:DG12 4.0 10.0 1.0 O2 B:DT18 4.2 19.1 1.0 N1 A:DG1 4.3 11.9 1.0 N1 B:DG16 4.3 12.7 1.0 C2 B:DT18 4.6 17.5 1.0 C5 A:DG12 4.7 9.0 1.0 N1 B:DT19 4.8 11.5 1.0 N3 B:DT18 4.8 17.2 1.0 C5 B:DG16 4.8 14.8 1.0 O4' B:DT20 4.9 11.2 1.0 C5 B:DG21 4.9 10.2 1.0

N.H.Campbell, M.Patel, A.B.Tofa, R.Ghosh, G.N.Parkinson, S.Neidle. Selectivity in Ligand Recognition of G-Quadruplex Loops. Biochemistry V. 48 1675 2009.
ISSN: ISSN 0006-2960
PubMed: 19173611
DOI: 10.1021/BI802233V