Potassium in PDB 3uyh: Crystal Structure of An Intramolecular Human Telomeric Dna G- Quadruplex Bound By the Naphthalene Diimide Compound, MM41

The structure of Crystal Structure of An Intramolecular Human Telomeric Dna G- Quadruplex Bound By the Naphthalene Diimide Compound, MM41, PDB code: 3uyh was solved by G.W.Collie, S.Neidle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 1.95
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	51.360, 51.360, 51.730, 90.00, 90.00, 120.00
R / Rfree (%)	23.1 / 27.5

The binding sites of Potassium atom in the Crystal Structure of An Intramolecular Human Telomeric Dna G- Quadruplex Bound By the Naphthalene Diimide Compound, MM41 (pdb code 3uyh). 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 Compound, MM41, PDB code: 3uyh:
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 Compound, MM41


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 Compound, MM41 within 5.0Å range: probe atom residue distance (Å) B Occ A:K101 b:22.7 occ:1.00 O6 A:DG16 2.6 24.9 1.0 O6 A:DG22 2.6 27.8 1.0 O6 A:DG10 2.6 24.7 1.0 O6 A:DG4 2.7 21.8 1.0 O6 A:DG3 2.9 22.0 1.0 O6 A:DG21 3.0 25.5 1.0 O6 A:DG9 3.0 20.4 1.0 O6 A:DG15 3.0 25.3 1.0 K A:K102 3.4 21.7 1.0 C6 A:DG22 3.6 27.4 1.0 C6 A:DG16 3.6 27.4 1.0 C6 A:DG10 3.6 21.8 1.0 C6 A:DG4 3.7 21.4 1.0 C6 A:DG3 3.7 20.9 1.0 C6 A:DG21 3.7 25.8 1.0 C6 A:DG9 3.8 19.3 1.0 C6 A:DG15 3.8 25.6 1.0 N1 A:DG22 3.9 26.7 1.0 N1 A:DG16 3.9 28.4 1.0 N1 A:DG10 3.9 22.6 1.0 N1 A:DG3 4.0 19.4 1.0 N1 A:DG4 4.0 20.8 1.0 N1 A:DG21 4.0 25.1 1.0 N1 A:DG15 4.0 24.6 1.0 N1 A:DG9 4.1 20.6 1.0 NCI A:0DX104 4.5 30.5 1.0 CBS A:0DX104 4.6 29.3 1.0 CBQ A:0DX104 4.6 29.8 1.0 CBW A:0DX104 4.8 28.9 1.0 CBU A:0DX104 4.8 28.4 1.0 C5 A:DG3 4.9 22.3 1.0 C5 A:DG22 4.9 28.9 1.0 C5 A:DG10 4.9 21.8 1.0 C5 A:DG21 4.9 27.2 1.0 CBY A:0DX104 4.9 27.3 1.0 C5 A:DG9 4.9 18.7 1.0 CBK A:0DX104 4.9 33.2 1.0 C5 A:DG16 5.0 29.6 1.0 C5 A:DG4 5.0 22.3 1.0 OAG A:0DX104 5.0 31.3 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 Compound, MM41


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 Compound, MM41 within 5.0Å range: probe atom residue distance (Å) B Occ A:K102 b:21.7 occ:1.00 O6 A:DG9 2.7 20.4 1.0 O6 A:DG3 2.7 22.0 1.0 O6 A:DG2 2.8 23.2 1.0 O6 A:DG8 2.8 18.7 1.0 O6 A:DG21 2.8 25.5 1.0 O6 A:DG20 2.8 26.1 1.0 O6 A:DG15 2.9 25.3 1.0 O6 A:DG14 2.9 22.9 1.0 K A:K103 3.3 20.1 0.5 K A:K101 3.4 22.7 1.0 C6 A:DG3 3.6 20.9 1.0 C6 A:DG9 3.6 19.3 1.0 C6 A:DG8 3.7 17.6 1.0 C6 A:DG14 3.7 22.0 1.0 C6 A:DG20 3.7 25.2 1.0 C6 A:DG21 3.7 25.8 1.0 C6 A:DG2 3.7 22.6 1.0 C6 A:DG15 3.7 25.6 1.0 N1 A:DG9 3.9 20.6 1.0 N1 A:DG3 3.9 19.4 1.0 N1 A:DG15 4.0 24.6 1.0 N1 A:DG8 4.0 16.6 1.0 N1 A:DG21 4.0 25.1 1.0 N1 A:DG14 4.0 23.5 1.0 N1 A:DG20 4.0 25.2 1.0 N1 A:DG2 4.0 21.8 1.0 C5 A:DG14 4.8 23.0 1.0 C5 A:DG3 4.9 22.3 1.0 C5 A:DG8 4.9 17.7 1.0 C5 A:DG9 4.9 18.7 1.0 C5 A:DG20 4.9 27.2 1.0 C5 A:DG21 5.0 27.2 1.0 C5 A:DG2 5.0 25.0 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 Compound, MM41


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 Compound, MM41 within 5.0Å range: probe atom residue distance (Å) B Occ A:K103 b:20.1 occ:0.50 O6 A:DG14 2.8 22.9 1.0 O6 A:DG8 2.8 18.7 1.0 O6 A:DG20 2.8 26.1 1.0 O6 A:DG2 2.9 23.2 1.0 K A:K102 3.3 21.7 1.0 C6 A:DG8 3.7 17.6 1.0 C6 A:DG14 3.7 22.0 1.0 C6 A:DG20 3.7 25.2 1.0 C6 A:DG2 3.7 22.6 1.0 N1 A:DG20 4.0 25.2 1.0 N1 A:DG14 4.0 23.5 1.0 N1 A:DG2 4.0 21.8 1.0 N1 A:DG8 4.0 16.6 1.0 C5 A:DG8 4.9 17.7 1.0 C5 A:DG2 4.9 25.0 1.0 C5 A:DG20 4.9 27.2 1.0 C5 A:DG14 5.0 23.0 1.0

M.Micco, G.W.Collie, A.G.Dale, S.A.Ohnmacht, I.Pazitna, M.Gunaratnam, A.P.Reszka, S.Neidle. Structure-Based Design and Evaluation of Naphthalene Diimide G-Quadruplex Ligands As Telomere Targeting Agents in Pancreatic Cancer Cells. J.Med.Chem. V. 56 2959 2013.
ISSN: ISSN 0022-2623
PubMed: 23514618
DOI: 10.1021/JM301899Y