Potassium in PDB 3eqw: A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in Small Unit Cell

The structure of A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in Small Unit Cell, PDB code: 3eqw 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)	22.59 / 2.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.279, 42.729, 26.617, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 31.4

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-6042 in Small Unit Cell (pdb code 3eqw). 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-6042 in Small Unit Cell, PDB code: 3eqw:
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-6042 in Small Unit Cell


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-6042 in Small Unit Cell within 5.0Å range: probe atom residue distance (Å) B Occ A:K26 b:16.8 occ:1.00 O6 B:DG16 2.7 9.3 1.0 O6 A:DG12 2.8 10.7 1.0 O6 B:DG22 2.8 11.4 1.0 O6 B:DG21 2.8 8.7 1.0 O6 A:DG1 2.8 8.7 1.0 O6 B:DG15 2.9 7.7 1.0 O6 A:DG11 3.0 6.5 1.0 O6 A:DG2 3.0 10.3 1.0 K A:K27 3.3 11.7 1.0 K B:K25 3.4 13.8 1.0 C6 A:DG11 3.6 5.2 1.0 C6 B:DG16 3.7 8.6 1.0 C6 B:DG15 3.7 8.3 1.0 C6 B:DG21 3.7 7.8 1.0 C6 A:DG1 3.7 5.7 1.0 C6 A:DG12 3.7 9.4 1.0 C6 B:DG22 3.8 11.3 1.0 N1 A:DG11 3.8 5.0 1.0 N1 B:DG16 3.9 7.2 1.0 C6 A:DG2 3.9 7.6 1.0 N1 B:DG15 3.9 6.4 1.0 N1 A:DG1 4.0 4.7 1.0 N1 A:DG12 4.0 8.8 1.0 N1 B:DG21 4.0 8.4 1.0 N1 B:DG22 4.1 9.5 1.0 N1 A:DG2 4.2 8.6 1.0 C5 A:DG11 4.8 5.9 1.0 C5 B:DG15 4.8 8.7 1.0 C5 B:DG21 4.9 8.0 1.0 C2 A:DG11 4.9 4.8 1.0 C5 B:DG22 5.0 11.1 1.0 C5 A:DG1 5.0 6.1 1.0 C5 B:DG16 5.0 6.9 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-6042 in Small Unit Cell


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-6042 in Small Unit Cell within 5.0Å range: probe atom residue distance (Å) B Occ A:K27 b:11.7 occ:1.00 O6 B:DG15 2.6 7.7 1.0 O6 A:DG2 2.8 10.3 1.0 O6 B:DG22 2.8 11.4 1.0 O6 B:DG23 2.8 11.4 1.0 O6 B:DG14 2.9 10.1 1.0 O6 A:DG11 2.9 6.5 1.0 O6 A:DG10 2.9 10.8 1.0 O6 A:DG3 3.0 8.4 1.0 K A:K26 3.3 16.8 1.0 C6 A:DG2 3.5 7.6 1.0 C6 B:DG22 3.7 11.3 1.0 C6 B:DG15 3.7 8.3 1.0 C6 B:DG14 3.7 8.4 1.0 C6 B:DG23 3.7 7.8 1.0 K A:K28 3.7 14.1 1.0 C6 A:DG10 3.8 9.2 1.0 N1 A:DG2 3.8 8.6 1.0 C6 A:DG11 3.8 5.2 1.0 C6 A:DG3 3.9 7.7 1.0 N1 A:DG11 4.0 5.0 1.0 N1 B:DG22 4.0 9.5 1.0 N1 B:DG23 4.0 7.9 1.0 N1 B:DG14 4.0 7.9 1.0 N1 B:DG15 4.1 6.4 1.0 N1 A:DG10 4.1 9.7 1.0 N1 A:DG3 4.1 7.4 1.0 C5 A:DG2 4.7 9.1 1.0 C5 B:DG14 4.9 8.4 1.0 C5 B:DG22 4.9 11.1 1.0 C5 B:DG15 4.9 8.7 1.0 C5 A:DG10 5.0 10.7 1.0 C5 B:DG23 5.0 8.7 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-6042 in Small Unit Cell


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-6042 in Small Unit Cell within 5.0Å range: probe atom residue distance (Å) B Occ A:K28 b:14.1 occ:1.00 O6 A:DG4 2.6 11.2 1.0 O6 A:DG9 2.7 13.6 1.0 O6 B:DG24 2.7 9.1 1.0 O6 B:DG13 2.8 11.2 1.0 O6 A:DG3 3.0 8.4 1.0 O6 A:DG10 3.1 10.8 1.0 O6 B:DG14 3.1 10.1 1.0 O6 B:DG23 3.2 11.4 1.0 C6 B:DG24 3.6 6.4 1.0 C6 A:DG4 3.6 8.1 1.0 C6 B:DG13 3.6 10.2 1.0 C6 A:DG9 3.7 11.4 1.0 C6 A:DG3 3.7 7.7 1.0 K A:K27 3.7 11.7 1.0 N1 B:DG24 3.8 6.4 1.0 C6 B:DG23 3.9 7.8 1.0 N1 B:DG13 3.9 10.9 1.0 C6 B:DG14 3.9 8.4 1.0 N1 A:DG4 3.9 7.0 1.0 C6 A:DG10 4.0 9.2 1.0 N1 A:DG3 4.0 7.4 1.0 N1 A:DG9 4.0 11.5 1.0 N1 B:DG14 4.1 7.9 1.0 N1 B:DG23 4.1 7.9 1.0 N1 A:DG10 4.2 9.7 1.0 O2 A:DT6 4.4 9.9 1.0 C5 A:DG3 4.8 8.0 1.0 C5 B:DG24 4.9 4.6 1.0 C5 A:DG4 4.9 7.6 1.0 C5 B:DG13 4.9 10.4 1.0 C5 A:DG9 4.9 11.3 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-6042 in Small Unit Cell


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-6042 in Small Unit Cell within 5.0Å range: probe atom residue distance (Å) B Occ B:K25 b:13.8 occ:1.00 O2 B:DT19 2.6 12.0 1.0 O B:HOH51 2.8 14.6 1.0 O2 B:DT17 2.8 12.2 1.0 O6 B:DG21 2.9 8.7 1.0 O6 B:DG16 3.0 9.3 1.0 O6 A:DG12 3.0 10.7 1.0 O B:HOH45 3.1 11.6 1.0 O6 A:DG1 3.1 8.7 1.0 K A:K26 3.4 16.8 1.0 C2 B:DT19 3.5 11.9 1.0 C6 A:DG12 3.7 9.4 1.0 C6 B:DG16 3.7 8.6 1.0 C2 B:DT17 3.7 12.7 1.0 C6 B:DG21 3.7 7.8 1.0 N3 B:DT19 3.8 11.1 1.0 N3 B:DT17 3.8 12.3 1.0 N1 A:DG12 3.9 8.8 1.0 N1 B:DG21 3.9 8.4 1.0 C6 A:DG1 3.9 5.7 1.0 N1 B:DG16 4.1 7.2 1.0 N1 A:DG1 4.1 4.7 1.0 O2 B:DT18 4.3 12.2 1.0 N1 B:DT19 4.7 12.7 1.0 C5 B:DG16 4.7 6.9 1.0 C2 B:DT18 4.7 10.5 1.0 C5 A:DG12 4.8 9.0 1.0 N3 B:DT18 4.9 8.6 1.0 C5 B:DG21 5.0 8.0 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