Potassium in PDB 3eum: A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6066

The structure of A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6066, PDB code: 3eum 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)	24.35 / 1.78
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.620, 42.307, 27.079, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 27

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-6066 (pdb code 3eum). 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-6066, PDB code: 3eum:
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-6066


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-6066 within 5.0Å range: probe atom residue distance (Å) B Occ A:K26 b:14.1 occ:1.00 O6 A:DG1 2.7 9.6 1.0 O6 B:DG16 2.8 12.9 1.0 O6 A:DG11 2.8 17.6 1.0 O6 A:DG2 2.9 11.7 1.0 O6 B:DG15 2.9 10.5 1.0 O6 A:DG12 2.9 11.6 1.0 O6 B:DG22 2.9 12.3 1.0 O6 B:DG21 3.0 12.7 1.0 K A:K27 3.4 10.4 1.0 K B:K25 3.5 15.8 1.0 C6 A:DG11 3.6 15.0 1.0 C6 A:DG1 3.6 9.1 1.0 C6 B:DG15 3.7 9.8 1.0 C6 B:DG22 3.7 11.1 1.0 C6 B:DG16 3.7 12.1 1.0 C6 A:DG2 3.8 12.5 1.0 C6 A:DG12 3.8 10.6 1.0 C6 B:DG21 3.8 13.4 1.0 N1 A:DG11 3.9 15.1 1.0 N1 B:DG16 3.9 11.5 1.0 N1 A:DG1 3.9 11.6 1.0 N1 B:DG15 4.0 9.4 1.0 N1 B:DG22 4.0 10.5 1.0 N1 A:DG2 4.1 11.9 1.0 N1 A:DG12 4.1 11.1 1.0 N1 B:DG21 4.1 11.2 1.0 C5 A:DG11 4.8 14.4 1.0 C5 B:DG15 4.8 9.3 1.0 C5 A:DG1 4.9 10.4 1.0 C5 B:DG22 4.9 11.8 1.0 C5 A:DG2 5.0 12.2 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-6066


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-6066 within 5.0Å range: probe atom residue distance (Å) B Occ A:K27 b:10.4 occ:1.00 O6 A:DG10 2.7 14.1 1.0 O6 B:DG14 2.7 10.2 1.0 O6 B:DG22 2.8 12.3 1.0 O6 A:DG3 2.8 10.3 1.0 O6 B:DG23 2.8 10.3 1.0 O6 B:DG15 2.9 10.5 1.0 O6 A:DG2 2.9 11.7 1.0 O6 A:DG11 2.9 17.6 1.0 K A:K26 3.4 14.1 1.0 K A:K28 3.5 11.8 1.0 C6 A:DG10 3.5 13.6 1.0 C6 B:DG14 3.6 10.0 1.0 C6 B:DG23 3.7 9.2 1.0 C6 A:DG2 3.7 12.5 1.0 C6 B:DG22 3.7 11.1 1.0 N1 A:DG10 3.8 13.7 1.0 C6 A:DG11 3.8 15.0 1.0 C6 A:DG3 3.8 8.6 1.0 C6 B:DG15 3.8 9.8 1.0 N1 B:DG23 3.9 9.0 1.0 N1 B:DG14 3.9 8.5 1.0 N1 A:DG2 4.0 11.9 1.0 N1 B:DG22 4.0 10.5 1.0 N1 A:DG11 4.1 15.1 1.0 N1 B:DG15 4.2 9.4 1.0 N1 A:DG3 4.2 9.1 1.0 C5 B:DG14 4.7 9.7 1.0 C5 A:DG10 4.8 12.9 1.0 C5 A:DG2 4.9 12.2 1.0 C5 B:DG23 4.9 10.0 1.0 C5 B:DG22 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-6066


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-6066 within 5.0Å range: probe atom residue distance (Å) B Occ A:K28 b:11.8 occ:1.00 O6 A:DG9 2.7 12.6 1.0 O6 B:DG13 2.7 11.6 1.0 O6 B:DG24 2.8 12.0 1.0 O6 A:DG4 2.8 12.4 1.0 O6 B:DG14 2.9 10.2 1.0 O6 A:DG10 3.0 14.1 1.0 O6 B:DG23 3.0 10.3 1.0 O6 A:DG3 3.1 10.3 1.0 K A:K27 3.5 10.4 1.0 C6 A:DG9 3.6 12.3 1.0 C6 B:DG13 3.6 9.8 1.0 C6 A:DG4 3.7 11.5 1.0 C6 B:DG24 3.7 11.9 1.0 C6 A:DG10 3.7 13.6 1.0 C6 B:DG14 3.8 10.0 1.0 C6 B:DG23 3.8 9.2 1.0 N1 A:DG9 3.8 12.9 1.0 N1 B:DG13 3.8 12.4 1.0 C6 A:DG3 3.9 8.6 1.0 N1 A:DG4 3.9 11.4 1.0 N1 A:DG10 4.0 13.7 1.0 N1 B:DG24 4.0 11.5 1.0 N1 B:DG23 4.0 9.0 1.0 N1 B:DG14 4.1 8.5 1.0 N1 A:DG3 4.2 9.1 1.0 O2 A:DT6 4.4 14.2 1.0 C5 A:DG9 4.9 13.3 1.0 C5 A:DG10 4.9 12.9 1.0 C1' A:DT6 4.9 13.7 1.0 C5 B:DG14 4.9 9.7 1.0 C5 B:DG13 4.9 11.3 1.0 C5 A:DG3 4.9 8.4 1.0 C5 B:DG24 5.0 10.6 1.0 C2 A:DT6 5.0 13.9 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-6066


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-6066 within 5.0Å range: probe atom residue distance (Å) B Occ B:K25 b:15.8 occ:1.00 O2 B:DT19 2.6 13.2 1.0 O2 B:DT17 2.8 14.7 1.0 O6 B:DG16 2.9 12.9 1.0 O6 A:DG12 2.9 11.6 1.0 O6 B:DG21 2.9 12.7 1.0 O6 A:DG1 3.1 9.6 1.0 K A:K26 3.5 14.1 1.0 C2 B:DT19 3.5 8.7 1.0 C6 A:DG12 3.6 10.6 1.0 C6 B:DG16 3.6 12.1 1.0 C2 B:DT17 3.7 14.4 1.0 C6 B:DG21 3.7 13.4 1.0 N3 B:DT19 3.8 10.3 1.0 N3 B:DT17 3.9 14.2 1.0 C6 A:DG1 3.9 9.1 1.0 N1 A:DG12 3.9 11.1 1.0 N1 B:DG21 4.0 11.2 1.0 N1 B:DG16 4.1 11.5 1.0 N1 A:DG1 4.2 11.6 1.0 O2 B:DT18 4.3 15.3 1.0 C5 B:DG16 4.7 11.7 1.0 C5 A:DG12 4.7 11.8 1.0 N1 B:DT19 4.8 10.8 1.0 C2 B:DT18 4.8 14.0 1.0 N3 B:DT18 4.8 13.6 1.0 C5 B:DG21 5.0 10.9 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