Potassium in PDB 3t5e: Crystal Structure of An Intramolecular Human Telomeric Dna G- Quadruplex Bound By the Naphthalene Diimide Bmsg-Sh-4

The structure of Crystal Structure of An Intramolecular Human Telomeric Dna G- Quadruplex Bound By the Naphthalene Diimide Bmsg-Sh-4, PDB code: 3t5e was solved by G.W.Collie, R.Promontorio, G.N.Parkinson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.20 / 2.10
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	63.034, 63.034, 42.389, 90.00, 90.00, 120.00
R / Rfree (%)	24.3 / 28.2

The binding sites of Potassium atom in the Crystal Structure of An Intramolecular Human Telomeric Dna G- Quadruplex Bound By the Naphthalene Diimide Bmsg-Sh-4 (pdb code 3t5e). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the Crystal Structure of An Intramolecular Human Telomeric Dna G- Quadruplex Bound By the Naphthalene Diimide Bmsg-Sh-4, PDB code: 3t5e:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in the Crystal Structure of An Intramolecular Human Telomeric Dna G- Quadruplex Bound By the Naphthalene Diimide Bmsg-Sh-4


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of An Intramolecular Human Telomeric Dna G- Quadruplex Bound By the Naphthalene Diimide Bmsg-Sh-4 within 5.0Å range: probe atom residue distance (Å) B Occ A:K24 b:27.4 occ:1.00 O6 A:DG10 2.6 26.6 1.0 O6 A:DG16 2.6 23.0 1.0 O6 A:DG4 2.7 28.9 1.0 O6 A:DG22 2.7 25.2 1.0 O6 A:DG9 2.9 22.3 1.0 O6 A:DG21 3.0 26.3 1.0 O6 A:DG3 3.0 27.4 1.0 O6 A:DG15 3.1 25.4 1.0 K A:K25 3.5 27.6 1.0 C6 A:DG10 3.6 27.5 1.0 C6 A:DG16 3.6 24.5 1.0 C6 A:DG4 3.6 28.0 1.0 C6 A:DG22 3.7 27.4 1.0 C6 A:DG9 3.7 22.4 1.0 C6 A:DG3 3.8 26.3 1.0 C6 A:DG21 3.8 24.6 1.0 C6 A:DG15 3.8 23.5 1.0 N1 A:DG10 3.8 23.2 1.0 N1 A:DG16 3.9 23.6 1.0 N1 A:DG4 3.9 25.6 1.0 N1 A:DG22 3.9 24.4 1.0 N1 A:DG9 4.1 23.1 1.0 N1 A:DG3 4.1 22.9 1.0 N1 A:DG15 4.1 23.5 1.0 N1 A:DG21 4.1 24.2 1.0 CCA A:T5E23 4.7 46.1 1.0 CBS A:T5E23 4.8 46.9 1.0 C5 A:DG9 4.8 23.2 1.0 C5 A:DG10 4.9 29.6 1.0 C5 A:DG3 4.9 26.6 1.0 CCC A:T5E23 4.9 46.0 1.0 C5 A:DG4 4.9 29.0 1.0 C5 A:DG16 4.9 24.6 1.0 C5 A:DG21 4.9 24.6 1.0 C5 A:DG15 4.9 25.1 1.0 C5 A:DG22 5.0 27.9 1.0

Potassium binding site 2 out of 3 in the Crystal Structure of An Intramolecular Human Telomeric Dna G- Quadruplex Bound By the Naphthalene Diimide Bmsg-Sh-4


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of An Intramolecular Human Telomeric Dna G- Quadruplex Bound By the Naphthalene Diimide Bmsg-Sh-4 within 5.0Å range: probe atom residue distance (Å) B Occ A:K25 b:27.6 occ:1.00 O6 A:DG9 2.6 22.3 1.0 O6 A:DG2 2.6 23.5 1.0 O6 A:DG3 2.7 27.4 1.0 O6 A:DG15 2.7 25.4 1.0 O6 A:DG21 2.8 26.3 1.0 O6 A:DG8 2.8 23.1 1.0 O6 A:DG20 2.8 23.4 1.0 O6 A:DG14 2.8 22.9 1.0 K A:K26 3.3 22.8 0.5 K A:K24 3.5 27.4 1.0 C6 A:DG9 3.6 22.4 1.0 C6 A:DG2 3.6 21.6 1.0 C6 A:DG8 3.6 22.0 1.0 C6 A:DG3 3.6 26.3 1.0 C6 A:DG14 3.7 22.4 1.0 C6 A:DG20 3.7 22.9 1.0 C6 A:DG15 3.7 23.5 1.0 C6 A:DG21 3.7 24.6 1.0 N1 A:DG8 3.9 21.0 1.0 N1 A:DG2 3.9 18.6 1.0 N1 A:DG20 3.9 22.6 1.0 N1 A:DG9 4.0 23.1 1.0 N1 A:DG14 4.0 21.3 1.0 N1 A:DG3 4.0 22.9 1.0 N1 A:DG15 4.0 23.5 1.0 N1 A:DG21 4.0 24.2 1.0 C5 A:DG9 4.8 23.2 1.0 C5 A:DG8 4.8 22.5 1.0 C5 A:DG2 4.8 21.9 1.0 C5 A:DG3 4.9 26.6 1.0 C5 A:DG14 4.9 22.4 1.0 C5 A:DG20 4.9 23.1 1.0 C5 A:DG15 5.0 25.1 1.0 C5 A:DG21 5.0 24.6 1.0

Potassium binding site 3 out of 3 in the Crystal Structure of An Intramolecular Human Telomeric Dna G- Quadruplex Bound By the Naphthalene Diimide Bmsg-Sh-4


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of An Intramolecular Human Telomeric Dna G- Quadruplex Bound By the Naphthalene Diimide Bmsg-Sh-4 within 5.0Å range: probe atom residue distance (Å) B Occ A:K26 b:22.8 occ:0.50 O6 A:DG14 2.8 22.9 1.0 O6 A:DG8 2.8 23.1 1.0 O6 A:DG20 2.9 23.4 1.0 O6 A:DG2 2.9 23.5 1.0 K A:K25 3.3 27.6 1.0 C6 A:DG8 3.6 22.0 1.0 C6 A:DG14 3.6 22.4 1.0 C6 A:DG20 3.7 22.9 1.0 C6 A:DG2 3.8 21.6 1.0 N1 A:DG8 3.9 21.0 1.0 N1 A:DG14 3.9 21.3 1.0 N1 A:DG20 4.0 22.6 1.0 N1 A:DG2 4.0 18.6 1.0 C5 A:DG8 4.9 22.5 1.0 C5 A:DG14 4.9 22.4 1.0 C5 A:DG20 5.0 23.1 1.0 C5 A:DG2 5.0 21.9 1.0

G.W.Collie, R.Promontorio, S.M.Hampel, M.Micco, S.Neidle, G.N.Parkinson. Structural Basis For Telomeric G-Quadruplex Targeting By Naphthalene Diimide Ligands. J.Am.Chem.Soc. V. 134 2723 2012.
ISSN: ISSN 0002-7863
PubMed: 22280460
DOI: 10.1021/JA2102423