Potassium in PDB 3es0: A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6048

The structure of A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6048, PDB code: 3es0 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)	24.50 / 2.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.525, 42.462, 27.299, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 24.5

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-6048 (pdb code 3es0). 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-6048, PDB code: 3es0:
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-6048


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-6048 within 5.0Å range: probe atom residue distance (Å) B Occ A:K26 b:11.2 occ:1.00 O6 A:DG1 2.8 9.0 1.0 O6 B:DG16 2.8 7.6 1.0 O6 A:DG12 2.8 10.7 1.0 O6 A:DG11 2.8 9.3 1.0 O6 B:DG21 2.9 8.3 1.0 O6 B:DG15 2.9 8.1 1.0 O6 A:DG2 2.9 8.1 1.0 O6 B:DG22 3.0 10.7 1.0 K A:K27 3.4 10.3 1.0 K B:K25 3.6 13.2 1.0 C6 A:DG11 3.6 7.2 1.0 C6 B:DG15 3.7 7.0 1.0 C6 A:DG1 3.7 7.7 1.0 C6 A:DG12 3.7 8.6 1.0 C6 B:DG16 3.7 6.8 1.0 C6 B:DG22 3.8 8.7 1.0 C6 B:DG21 3.8 7.0 1.0 C6 A:DG2 3.8 7.8 1.0 N1 A:DG11 3.9 5.6 1.0 N1 B:DG15 4.0 7.3 1.0 N1 B:DG16 4.0 7.1 1.0 N1 A:DG12 4.0 7.7 1.0 N1 A:DG1 4.0 6.5 1.0 N1 B:DG22 4.0 8.5 1.0 N1 A:DG2 4.1 7.0 1.0 N1 B:DG21 4.1 6.6 1.0 C5 A:DG11 4.7 7.0 1.0 C5 B:DG15 4.8 8.0 1.0 C5 A:DG1 4.9 7.5 1.0 C5 B:DG22 5.0 8.1 1.0 C5 B:DG21 5.0 6.8 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-6048


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-6048 within 5.0Å range: probe atom residue distance (Å) B Occ A:K27 b:10.3 occ:1.00 O6 A:DG2 2.8 8.1 1.0 O6 B:DG14 2.8 7.7 1.0 O6 A:DG10 2.8 10.8 1.0 O6 B:DG15 2.8 8.1 1.0 O6 B:DG23 2.8 9.3 1.0 O6 A:DG3 2.9 9.5 1.0 O6 B:DG22 2.9 10.7 1.0 O6 A:DG11 3.0 9.3 1.0 K A:K26 3.4 11.2 1.0 K A:K28 3.5 9.1 1.0 C6 A:DG2 3.6 7.8 1.0 C6 B:DG14 3.7 6.3 1.0 C6 A:DG10 3.7 9.0 1.0 C6 B:DG23 3.7 6.5 1.0 C6 B:DG22 3.8 8.7 1.0 N1 A:DG2 3.8 7.0 1.0 C6 B:DG15 3.8 7.0 1.0 C6 A:DG3 3.8 8.2 1.0 C6 A:DG11 3.9 7.2 1.0 N1 A:DG10 3.9 8.0 1.0 N1 B:DG14 4.0 6.1 1.0 N1 B:DG22 4.0 8.5 1.0 N1 B:DG23 4.0 6.0 1.0 N1 A:DG11 4.2 5.6 1.0 N1 A:DG3 4.2 8.3 1.0 N1 B:DG15 4.2 7.3 1.0 C5 A:DG2 4.8 7.6 1.0 C5 B:DG14 4.8 5.7 1.0 C5 A:DG10 4.9 10.0 1.0 C5 B:DG23 5.0 6.9 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-6048


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-6048 within 5.0Å range: probe atom residue distance (Å) B Occ A:K28 b:9.1 occ:1.00 O6 A:DG9 2.7 9.6 1.0 O6 B:DG24 2.7 6.8 1.0 O6 B:DG13 2.8 10.0 1.0 O6 A:DG4 2.8 7.2 1.0 O6 A:DG3 3.0 9.5 1.0 O6 B:DG23 3.0 9.3 1.0 O6 B:DG14 3.0 7.7 1.0 O6 A:DG10 3.0 10.8 1.0 K A:K27 3.5 10.3 1.0 C6 A:DG9 3.6 9.1 1.0 C6 B:DG24 3.6 5.4 1.0 C6 B:DG13 3.7 8.3 1.0 C6 A:DG4 3.7 4.8 1.0 C6 A:DG3 3.8 8.2 1.0 C6 B:DG23 3.8 6.5 1.0 C6 A:DG10 3.9 9.0 1.0 N1 A:DG9 3.9 7.6 1.0 C6 B:DG14 3.9 6.3 1.0 N1 A:DG4 3.9 4.2 1.0 N1 B:DG13 3.9 7.7 1.0 N1 B:DG24 3.9 5.0 1.0 N1 A:DG3 4.1 8.3 1.0 N1 B:DG23 4.1 6.0 1.0 N1 A:DG10 4.1 8.0 1.0 N1 B:DG14 4.2 6.1 1.0 O2 A:DT6 4.5 6.3 1.0 C5 B:DG24 4.9 4.6 1.0 C5 A:DG9 4.9 8.5 1.0 C5 A:DG3 4.9 7.8 1.0 C5 B:DG23 5.0 6.9 1.0 C5 B:DG13 5.0 8.2 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-6048


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-6048 within 5.0Å range: probe atom residue distance (Å) B Occ B:K25 b:13.2 occ:1.00 O B:HOH40 2.6 17.6 1.0 O2 B:DT19 2.7 7.9 1.0 O2 B:DT17 2.9 8.0 1.0 O6 A:DG12 3.0 10.7 1.0 O6 B:DG16 3.0 7.6 1.0 O6 B:DG21 3.0 8.3 1.0 O B:HOH35 3.1 13.1 1.0 O6 A:DG1 3.1 9.0 1.0 C2 B:DT19 3.6 8.3 1.0 K A:K26 3.6 11.2 1.0 C6 A:DG12 3.7 8.6 1.0 C6 B:DG16 3.7 6.8 1.0 C2 B:DT17 3.8 8.5 1.0 C6 B:DG21 3.8 7.0 1.0 N3 B:DT19 3.8 7.6 1.0 N3 B:DT17 3.9 8.4 1.0 N1 A:DG12 3.9 7.7 1.0 C6 A:DG1 3.9 7.7 1.0 N1 B:DG21 4.0 6.6 1.0 N1 A:DG1 4.2 6.5 1.0 N1 B:DG16 4.2 7.1 1.0 O2 B:DT18 4.3 10.6 1.0 C5 A:DG12 4.7 8.3 1.0 C5 B:DG16 4.7 6.6 1.0 N1 B:DT19 4.8 8.9 1.0 C2 B:DT18 4.8 9.7 1.0 N3 B:DT18 5.0 10.3 1.0 C5 B:DG21 5.0 6.8 1.0 O4' B:DT20 5.0 9.4 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