Potassium in PDB 3eru: A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6045

The structure of A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6045, PDB code: 3eru 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)	22.72 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.224, 42.631, 26.854, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 24.9

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-6045 (pdb code 3eru). 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-6045, PDB code: 3eru:
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-6045


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-6045 within 5.0Å range: probe atom residue distance (Å) B Occ A:K26 b:14.3 occ:1.00 O6 A:DG1 2.7 14.6 1.0 O6 A:DG2 2.8 15.0 1.0 O6 B:DG21 2.8 12.7 1.0 O6 B:DG16 2.8 15.9 1.0 O6 B:DG22 2.8 16.7 1.0 O6 A:DG12 2.9 13.7 1.0 O6 A:DG11 2.9 13.2 1.0 O6 B:DG15 2.9 10.6 1.0 K A:K27 3.4 14.1 1.0 K B:K25 3.4 17.3 1.0 C6 A:DG1 3.6 12.3 1.0 C6 A:DG11 3.6 13.5 1.0 C6 B:DG22 3.7 14.5 1.0 C6 B:DG21 3.7 11.9 1.0 C6 A:DG2 3.7 12.9 1.0 C6 B:DG15 3.7 11.3 1.0 C6 B:DG16 3.8 14.5 1.0 C6 A:DG12 3.8 13.0 1.0 N1 A:DG11 3.8 11.9 1.0 N1 A:DG1 3.9 12.3 1.0 N1 B:DG22 4.0 13.3 1.0 N1 B:DG16 4.0 14.3 1.0 N1 A:DG2 4.0 14.7 1.0 N1 B:DG15 4.1 9.7 1.0 N1 B:DG21 4.1 12.6 1.0 N1 A:DG12 4.1 12.2 1.0 C5 A:DG11 4.8 13.4 1.0 C5 A:DG1 4.8 12.4 1.0 C5 B:DG21 4.9 10.3 1.0 C5 B:DG15 4.9 11.9 1.0 C5 B:DG22 4.9 14.2 1.0 C5 A:DG2 5.0 14.2 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-6045


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-6045 within 5.0Å range: probe atom residue distance (Å) B Occ A:K27 b:14.1 occ:1.00 O6 B:DG14 2.7 14.8 1.0 O6 B:DG15 2.7 10.6 1.0 O6 A:DG2 2.8 15.0 1.0 O6 A:DG11 2.9 13.2 1.0 O6 A:DG3 2.9 15.7 1.0 O6 B:DG23 2.9 14.3 1.0 O6 B:DG22 2.9 16.7 1.0 O6 A:DG10 2.9 15.2 1.0 K A:K26 3.4 14.3 1.0 C6 B:DG14 3.6 13.8 1.0 C6 A:DG2 3.6 12.9 1.0 K A:K28 3.6 14.7 1.0 C6 A:DG10 3.7 12.7 1.0 C6 B:DG22 3.8 14.5 1.0 C6 B:DG23 3.8 11.0 1.0 C6 B:DG15 3.8 11.3 1.0 C6 A:DG11 3.8 13.5 1.0 C6 A:DG3 3.8 13.0 1.0 N1 A:DG2 3.8 14.7 1.0 N1 B:DG14 3.9 12.3 1.0 N1 A:DG10 3.9 11.8 1.0 N1 B:DG22 4.0 13.3 1.0 N1 B:DG23 4.1 11.5 1.0 N1 A:DG11 4.1 11.9 1.0 N1 A:DG3 4.1 14.2 1.0 N1 B:DG15 4.2 9.7 1.0 C5 B:DG14 4.7 13.2 1.0 C5 A:DG2 4.8 14.2 1.0 C5 A:DG10 4.9 13.3 1.0 C5 B:DG22 5.0 14.2 1.0 C5 B:DG23 5.0 11.8 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-6045


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-6045 within 5.0Å range: probe atom residue distance (Å) B Occ A:K28 b:14.7 occ:1.00 O6 B:DG24 2.7 13.5 1.0 O6 B:DG13 2.7 13.7 1.0 O6 A:DG4 2.7 14.5 1.0 O6 A:DG9 2.8 15.5 1.0 O6 B:DG14 2.9 14.8 1.0 O6 A:DG10 3.0 15.2 1.0 O6 A:DG3 3.1 15.7 1.0 O6 B:DG23 3.1 14.3 1.0 K A:K27 3.6 14.1 1.0 C6 B:DG13 3.6 12.3 1.0 C6 B:DG24 3.7 12.4 1.0 C6 A:DG4 3.7 9.8 1.0 C6 A:DG9 3.7 12.9 1.0 C6 B:DG14 3.7 13.8 1.0 C6 A:DG3 3.8 13.0 1.0 C6 A:DG10 3.9 12.7 1.0 N1 B:DG13 3.9 12.1 1.0 C6 B:DG23 3.9 11.0 1.0 N1 A:DG4 3.9 11.7 1.0 N1 B:DG24 3.9 10.6 1.0 N1 A:DG9 4.0 13.1 1.0 N1 B:DG14 4.0 12.3 1.0 N1 A:DG10 4.1 11.8 1.0 N1 B:DG23 4.1 11.5 1.0 N1 A:DG3 4.1 14.2 1.0 O2 A:DT6 4.4 12.0 1.0 C5 B:DG13 4.9 13.5 1.0 C5 A:DG3 4.9 13.4 1.0 C5 B:DG24 4.9 10.8 1.0 C5 A:DG9 4.9 12.3 1.0 C5 A:DG4 5.0 11.7 1.0 C5 B:DG14 5.0 13.2 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-6045


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-6045 within 5.0Å range: probe atom residue distance (Å) B Occ B:K25 b:17.3 occ:1.00 O2 B:DT19 2.5 14.8 1.0 O B:HOH40 2.7 22.7 1.0 O2 B:DT17 2.8 16.9 1.0 O6 B:DG21 2.9 12.7 1.0 O6 A:DG12 2.9 13.7 1.0 O6 B:DG16 2.9 15.9 1.0 O6 A:DG1 3.0 14.6 1.0 O B:HOH43 3.2 17.6 1.0 C2 B:DT19 3.4 13.2 1.0 K A:K26 3.4 14.3 1.0 C6 A:DG12 3.6 13.0 1.0 C6 B:DG16 3.7 14.5 1.0 C2 B:DT17 3.7 14.6 1.0 N3 B:DT19 3.7 12.6 1.0 C6 B:DG21 3.8 11.9 1.0 C6 A:DG1 3.8 12.3 1.0 N3 B:DT17 3.9 15.6 1.0 N1 A:DG12 3.9 12.2 1.0 N1 B:DG21 4.0 12.6 1.0 N1 A:DG1 4.0 12.3 1.0 N1 B:DG16 4.1 14.3 1.0 O2 B:DT18 4.4 18.6 1.0 N1 B:DT19 4.6 15.6 1.0 C5 B:DG16 4.7 13.6 1.0 C5 A:DG12 4.8 13.1 1.0 C2 B:DT18 4.8 16.3 1.0 N3 B:DT18 4.9 16.5 1.0 C5 B:DG21 5.0 10.3 1.0 C5 A:DG1 5.0 12.4 1.0 N1 B:DT17 5.0 16.4 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