Potassium in PDB 3em2: A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6038

The structure of A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6038, PDB code: 3em2 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)	27.62 / 2.30
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.231, 42.709, 26.844, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 29.3

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-6038 (pdb code 3em2). 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-6038, PDB code: 3em2:
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-6038


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-6038 within 5.0Å range: probe atom residue distance (Å) B Occ A:K26 b:17.8 occ:1.00 O6 A:DG1 2.8 16.2 1.0 O6 B:DG16 2.8 13.4 1.0 O6 A:DG2 2.8 13.5 1.0 O6 B:DG21 2.8 12.6 1.0 O6 A:DG12 2.9 17.0 1.0 O6 B:DG22 2.9 17.1 1.0 O6 A:DG11 3.0 9.8 1.0 O6 B:DG15 3.0 13.8 1.0 K A:K27 3.4 18.6 1.0 K B:K25 3.4 18.4 1.0 C6 A:DG1 3.7 12.9 1.0 C6 A:DG11 3.7 11.2 1.0 C6 B:DG16 3.7 12.8 1.0 C6 B:DG21 3.8 13.7 1.0 C6 B:DG15 3.8 13.1 1.0 C6 A:DG2 3.8 12.0 1.0 C6 B:DG22 3.8 15.6 1.0 C6 A:DG12 3.9 15.1 1.0 N1 A:DG11 3.9 11.2 1.0 N1 A:DG1 3.9 11.8 1.0 N1 B:DG16 4.0 12.2 1.0 N1 B:DG22 4.0 14.7 1.0 N1 B:DG15 4.0 11.3 1.0 N1 A:DG12 4.1 13.4 1.0 N1 A:DG2 4.1 12.5 1.0 N1 B:DG21 4.2 14.8 1.0 C5 A:DG11 4.8 11.8 1.0 C5 A:DG1 4.9 13.0 1.0 C5 B:DG15 4.9 12.9 1.0 C5 B:DG21 4.9 15.0 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-6038


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-6038 within 5.0Å range: probe atom residue distance (Å) B Occ A:K27 b:18.6 occ:1.00 O6 A:DG2 2.8 13.5 1.0 O6 A:DG10 2.8 18.4 1.0 O6 B:DG23 2.8 13.8 1.0 O6 B:DG14 2.9 13.2 1.0 O6 B:DG15 2.9 13.8 1.0 O6 B:DG22 2.9 17.1 1.0 O6 A:DG11 3.0 9.8 1.0 O6 A:DG3 3.1 13.2 1.0 K A:K26 3.4 17.8 1.0 C6 A:DG2 3.6 12.0 1.0 K A:K28 3.6 17.5 1.0 C6 B:DG23 3.7 11.8 1.0 C6 A:DG10 3.7 15.8 1.0 C6 B:DG14 3.7 12.1 1.0 C6 B:DG22 3.7 15.6 1.0 C6 A:DG11 3.9 11.2 1.0 N1 B:DG23 3.9 12.1 1.0 N1 A:DG2 3.9 12.5 1.0 C6 B:DG15 3.9 13.1 1.0 N1 B:DG22 3.9 14.7 1.0 C6 A:DG3 4.0 14.3 1.0 N1 A:DG10 4.0 15.1 1.0 N1 A:DG11 4.1 11.2 1.0 N1 B:DG14 4.1 10.3 1.0 N1 A:DG3 4.2 15.0 1.0 N1 B:DG15 4.2 11.3 1.0 C5 A:DG2 4.7 12.9 1.0 C5 B:DG14 4.9 12.1 1.0 C5 A:DG10 4.9 15.8 1.0 C5 B:DG23 4.9 12.6 1.0 C5 B:DG22 5.0 15.4 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-6038


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-6038 within 5.0Å range: probe atom residue distance (Å) B Occ A:K28 b:17.5 occ:1.00 O6 B:DG24 2.7 11.6 1.0 O6 A:DG4 2.7 14.6 1.0 O6 A:DG9 2.8 14.6 1.0 O6 B:DG13 2.8 15.6 1.0 O6 B:DG14 3.0 13.2 1.0 O6 A:DG3 3.1 13.2 1.0 O6 A:DG10 3.1 18.4 1.0 O6 B:DG23 3.1 13.8 1.0 C6 B:DG24 3.6 10.2 1.0 K A:K27 3.6 18.6 1.0 C6 A:DG4 3.7 12.3 1.0 C6 A:DG9 3.7 14.3 1.0 C6 B:DG13 3.7 15.5 1.0 N1 B:DG24 3.8 8.5 1.0 C6 A:DG3 3.9 14.3 1.0 C6 B:DG14 3.9 12.1 1.0 C6 B:DG23 3.9 11.8 1.0 N1 A:DG4 3.9 10.9 1.0 N1 A:DG9 3.9 13.7 1.0 N1 B:DG13 3.9 15.8 1.0 C6 A:DG10 4.0 15.8 1.0 N1 B:DG23 4.1 12.1 1.0 N1 B:DG14 4.1 10.3 1.0 N1 A:DG3 4.2 15.0 1.0 N1 A:DG10 4.2 15.1 1.0 O2 A:DT6 4.3 13.3 1.0 C5 B:DG24 4.9 8.1 1.0 C2 A:DT6 4.9 12.0 1.0 C5 A:DG9 5.0 14.6 1.0 C5 A:DG3 5.0 14.4 1.0 C5 A:DG4 5.0 11.4 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-6038


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-6038 within 5.0Å range: probe atom residue distance (Å) B Occ B:K25 b:18.4 occ:1.00 O2 B:DT19 2.6 15.5 1.0 O B:HOH41 2.7 14.6 1.0 O2 B:DT17 2.9 14.2 1.0 O6 A:DG12 2.9 17.0 1.0 O6 B:DG16 2.9 13.4 1.0 O6 B:DG21 3.0 12.6 1.0 O B:HOH40 3.0 11.3 1.0 O6 A:DG1 3.2 16.2 1.0 K A:K26 3.4 17.8 1.0 C2 B:DT19 3.5 15.2 1.0 C6 A:DG12 3.6 15.1 1.0 C6 B:DG16 3.7 12.8 1.0 C2 B:DT17 3.7 15.6 1.0 N3 B:DT19 3.7 14.7 1.0 N3 B:DT17 3.8 15.7 1.0 C6 B:DG21 3.8 13.7 1.0 N1 A:DG12 3.9 13.4 1.0 C6 A:DG1 4.0 12.9 1.0 N1 B:DG21 4.0 14.8 1.0 N1 B:DG16 4.1 12.2 1.0 N1 A:DG1 4.1 11.8 1.0 O2 B:DT18 4.3 19.1 1.0 N1 B:DT19 4.7 15.3 1.0 C5 A:DG12 4.7 14.8 1.0 C5 B:DG16 4.7 12.2 1.0 C2 B:DT18 4.8 17.9 1.0 N3 B:DT18 5.0 18.3 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