Potassium in PDB 5dwx: Structural Insights Into the Quadruplex-Duplex 3' Interface Formed From A Telomeric Repeat - Tloop

The structure of Structural Insights Into the Quadruplex-Duplex 3' Interface Formed From A Telomeric Repeat - Tloop, PDB code: 5dwx was solved by G.N.Parkinson, I.Russo Krauss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.71
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	59.830, 59.830, 72.310, 90.00, 90.00, 90.00
R / Rfree (%)	28.5 / 32.7

The binding sites of Potassium atom in the Structural Insights Into the Quadruplex-Duplex 3' Interface Formed From A Telomeric Repeat - Tloop (pdb code 5dwx). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the Structural Insights Into the Quadruplex-Duplex 3' Interface Formed From A Telomeric Repeat - Tloop, PDB code: 5dwx:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in the Structural Insights Into the Quadruplex-Duplex 3' Interface Formed From A Telomeric Repeat - Tloop


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structural Insights Into the Quadruplex-Duplex 3' Interface Formed From A Telomeric Repeat - Tloop within 5.0Å range: probe atom residue distance (Å) B Occ A:K101 b:27.8 occ:1.00 O6 A:DG7 2.7 26.4 1.0 O6 A:DG11 2.7 31.7 1.0 O6 A:DG15 2.8 32.8 1.0 O6 A:DG3 2.8 29.3 1.0 O6 A:DG2 2.8 37.8 1.0 O6 A:DG14 2.8 40.5 1.0 O6 A:DG10 2.9 40.8 1.0 O6 A:DG6 3.0 27.9 1.0 K A:K102 3.4 19.2 1.0 C6 A:DG11 3.6 23.5 1.0 C6 A:DG7 3.7 26.2 1.0 C6 A:DG2 3.7 32.4 1.0 C6 A:DG14 3.7 34.1 1.0 C6 A:DG10 3.7 37.6 1.0 C6 A:DG15 3.7 28.9 1.0 C6 A:DG6 3.8 19.6 1.0 C6 A:DG3 3.8 30.5 1.0 N1 A:DG11 3.8 22.9 1.0 N1 A:DG15 3.9 27.5 1.0 N1 A:DG7 4.0 23.7 1.0 N1 A:DG2 4.0 31.8 1.0 N1 A:DG3 4.0 31.8 1.0 N1 A:DG14 4.0 30.9 1.0 N1 A:DG6 4.0 23.8 1.0 N1 A:DG10 4.1 35.5 1.0 N1 A:DA18 4.5 44.6 0.8 N6 A:DA18 4.8 56.6 0.8 C6 A:DA18 4.8 48.8 0.8 C5 A:DG10 4.8 33.8 1.0 C5 A:DG2 4.8 31.3 1.0 C5 A:DG11 4.9 25.0 1.0 C5 A:DG14 4.9 30.3 1.0 C5 A:DG6 4.9 18.4 1.0 C5 A:DG7 5.0 24.7 1.0

Potassium binding site 2 out of 3 in the Structural Insights Into the Quadruplex-Duplex 3' Interface Formed From A Telomeric Repeat - Tloop


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Structural Insights Into the Quadruplex-Duplex 3' Interface Formed From A Telomeric Repeat - Tloop within 5.0Å range: probe atom residue distance (Å) B Occ A:K102 b:19.2 occ:1.00 O6 A:DG10 2.6 40.8 1.0 O6 A:DG14 2.6 40.5 1.0 O6 A:DG1 2.6 34.4 1.0 O6 A:DG6 2.7 27.9 1.0 O6 A:DG13 2.8 37.8 1.0 O6 A:DG2 2.9 37.8 1.0 O6 A:DG9 2.9 33.5 1.0 O6 A:DG5 3.0 30.3 1.0 K A:K101 3.4 27.8 1.0 K A:K103 3.4 29.0 0.5 C6 A:DG10 3.5 37.6 1.0 C6 A:DG14 3.6 34.1 1.0 C6 A:DG1 3.6 29.3 1.0 C6 A:DG6 3.6 19.6 1.0 C6 A:DG2 3.7 32.4 1.0 C6 A:DG9 3.7 31.1 1.0 C6 A:DG5 3.7 24.0 1.0 C6 A:DG13 3.8 32.8 1.0 N1 A:DG2 3.9 31.8 1.0 N1 A:DG1 3.9 31.6 1.0 N1 A:DG10 3.9 35.5 1.0 N1 A:DG14 3.9 30.9 1.0 N1 A:DG6 3.9 23.8 1.0 N1 A:DG9 4.0 34.0 1.0 N1 A:DG5 4.0 20.1 1.0 N1 A:DG13 4.1 30.9 1.0 C5 A:DG14 4.7 30.3 1.0 C5 A:DG10 4.8 33.8 1.0 C5 A:DG5 4.8 20.7 1.0 C5 A:DG1 4.9 23.2 1.0 C5 A:DG9 4.9 25.6 1.0 C5 A:DG6 4.9 18.4 1.0 C5 A:DG2 5.0 31.3 1.0 C5 A:DG13 5.0 24.8 1.0

Potassium binding site 3 out of 3 in the Structural Insights Into the Quadruplex-Duplex 3' Interface Formed From A Telomeric Repeat - Tloop


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Structural Insights Into the Quadruplex-Duplex 3' Interface Formed From A Telomeric Repeat - Tloop within 5.0Å range: probe atom residue distance (Å) B Occ A:K103 b:29.0 occ:0.50 O6 A:DG5 2.5 30.3 1.0 O6 A:DG9 2.7 33.5 1.0 O6 A:DG13 2.9 37.8 1.0 O6 A:DG1 3.0 34.4 1.0 K A:K102 3.4 19.2 1.0 C6 A:DG5 3.5 24.0 1.0 C6 A:DG9 3.7 31.1 1.0 C6 A:DG13 3.7 32.8 1.0 C6 A:DG1 3.8 29.3 1.0 N1 A:DG5 4.0 20.1 1.0 N1 A:DG9 4.0 34.0 1.0 N1 A:DG13 4.0 30.9 1.0 N1 A:DG1 4.0 31.6 1.0 C5 A:DG5 4.8 20.7 1.0 C5 A:DG13 4.9 24.8 1.0 C5 A:DG9 4.9 25.6 1.0 C5 A:DG1 4.9 23.2 1.0

I.Russo Krauss, S.Ramaswamy, S.Neidle, S.Haider, G.N.Parkinson. Structural Insights Into the Quadruplex-Duplex 3' Interface Formed From A Telomeric Repeat: A Potential Molecular Target. J.Am.Chem.Soc. V. 138 1226 2016.
ISSN: ESSN 1520-5126
PubMed: 26730610
DOI: 10.1021/JACS.5B10492