Potassium in PDB 3sc8: Crystal Structure of An Intramolecular Human Telomeric Dna G- Quadruplex Bound By the Naphthalene Diimide Bmsg-Sh-3

The structure of Crystal Structure of An Intramolecular Human Telomeric Dna G- Quadruplex Bound By the Naphthalene Diimide Bmsg-Sh-3, PDB code: 3sc8 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)	10.30 / 2.30
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	50.870, 50.870, 52.460, 90.00, 90.00, 120.00
R / Rfree (%)	25.8 / 28.8

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-3 (pdb code 3sc8). 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-3, PDB code: 3sc8:
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-3


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-3 within 5.0Å range: probe atom residue distance (Å) B Occ A:K24 b:31.4 occ:1.00 O6 A:DG16 2.6 36.3 1.0 O6 A:DG4 2.6 28.6 1.0 O6 A:DG10 2.6 32.1 1.0 O6 A:DG22 2.7 42.6 1.0 O6 A:DG3 2.9 27.9 1.0 O6 A:DG9 3.0 31.5 1.0 O6 A:DG21 3.1 47.2 1.0 O6 A:DG15 3.2 36.1 1.0 K A:K25 3.4 25.8 1.0 C6 A:DG22 3.6 38.9 1.0 C6 A:DG4 3.6 24.2 1.0 C6 A:DG10 3.6 29.2 1.0 C6 A:DG3 3.7 23.1 1.0 C6 A:DG16 3.7 38.6 1.0 C6 A:DG21 3.8 44.6 1.0 N1 A:DG22 3.9 37.1 1.0 N1 A:DG21 3.9 42.4 1.0 N1 A:DG10 3.9 32.0 1.0 C6 A:DG9 3.9 24.5 1.0 C6 A:DG15 4.0 36.9 1.0 N1 A:DG3 4.0 19.4 1.0 N1 A:DG4 4.0 23.9 1.0 N1 A:DG16 4.0 41.2 1.0 N1 A:DG15 4.2 36.3 1.0 N1 A:DG9 4.3 26.8 1.0 NCI A:R8G23 4.5 35.7 1.0 CBQ A:R8G23 4.5 36.3 1.0 CBS A:R8G23 4.7 34.4 1.0 CBU A:R8G23 4.7 35.1 1.0 C5 A:DG3 4.8 24.4 1.0 OAE A:R8G23 4.9 35.6 1.0 C5 A:DG4 4.9 25.2 1.0 C5 A:DG22 4.9 38.9 1.0 CBW A:R8G23 4.9 34.1 1.0 CBK A:R8G23 4.9 39.0 1.0 CBY A:R8G23 4.9 33.9 1.0 C5 A:DG16 4.9 39.3 1.0 C5 A:DG21 5.0 46.1 1.0 C5 A:DG10 5.0 29.0 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-3


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-3 within 5.0Å range: probe atom residue distance (Å) B Occ A:K25 b:25.8 occ:1.00 O6 A:DG21 2.6 47.2 1.0 O6 A:DG3 2.7 27.9 1.0 O6 A:DG9 2.8 31.5 1.0 O6 A:DG2 2.9 26.8 1.0 O6 A:DG8 2.9 25.5 1.0 O6 A:DG15 3.0 36.1 1.0 O6 A:DG14 3.0 33.5 1.0 O6 A:DG20 3.1 43.2 1.0 K A:K24 3.4 31.4 1.0 K A:K26 3.4 18.7 0.5 C6 A:DG21 3.5 44.6 1.0 C6 A:DG3 3.6 23.1 1.0 C6 A:DG8 3.8 19.6 1.0 C6 A:DG14 3.8 27.9 1.0 C6 A:DG15 3.8 36.9 1.0 C6 A:DG9 3.8 24.5 1.0 N1 A:DG21 3.8 42.4 1.0 C6 A:DG2 3.8 24.5 1.0 N1 A:DG15 3.9 36.3 1.0 N1 A:DG3 3.9 19.4 1.0 C6 A:DG20 4.0 40.1 1.0 N1 A:DG8 4.1 17.7 1.0 N1 A:DG9 4.1 26.8 1.0 N1 A:DG14 4.1 30.1 1.0 N1 A:DG2 4.2 20.4 1.0 N1 A:DG20 4.4 39.0 1.0 C5 A:DG21 4.8 46.1 1.0 O6 A:DG16 4.8 36.3 1.0 C5 A:DG3 4.9 24.4 1.0 C5 A:DG14 4.9 28.7 1.0 C5 A:DG8 4.9 18.7 1.0 C5 A:DG2 5.0 26.3 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-3


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-3 within 5.0Å range: probe atom residue distance (Å) B Occ A:K26 b:18.7 occ:0.50 O6 A:DG14 2.8 33.5 1.0 O6 A:DG8 2.8 25.5 1.0 O6 A:DG2 2.8 26.8 1.0 O6 A:DG20 3.1 43.2 1.0 K A:K25 3.4 25.8 1.0 C6 A:DG2 3.7 24.5 1.0 C6 A:DG8 3.7 19.6 1.0 C6 A:DG14 3.8 27.9 1.0 C6 A:DG20 4.0 40.1 1.0 N1 A:DG8 4.0 17.7 1.0 N1 A:DG2 4.1 20.4 1.0 N1 A:DG14 4.1 30.1 1.0 N1 A:DG20 4.3 39.0 1.0 C5 A:DG2 4.9 26.3 1.0 C5 A:DG8 4.9 18.7 1.0 C5 A:DG14 5.0 28.7 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