Potassium in PDB 7pnl: Complex Between Monomolecular Human Telomeric G-Quadruplex and A Sulfonamide Derivative of the Natural Alkaloid Berberine

The structure of Complex Between Monomolecular Human Telomeric G-Quadruplex and A Sulfonamide Derivative of the Natural Alkaloid Berberine, PDB code: 7pnl was solved by C.Bazzicalupi, P.Gratteri, A.Petreni, A.Nocentini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.36 / 1.83
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	36.842, 72.717, 27.028, 90, 90.1, 90
R / Rfree (%)	20.4 / 32.1

The binding sites of Potassium atom in the Complex Between Monomolecular Human Telomeric G-Quadruplex and A Sulfonamide Derivative of the Natural Alkaloid Berberine (pdb code 7pnl). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the Complex Between Monomolecular Human Telomeric G-Quadruplex and A Sulfonamide Derivative of the Natural Alkaloid Berberine, PDB code: 7pnl:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in the Complex Between Monomolecular Human Telomeric G-Quadruplex and A Sulfonamide Derivative of the Natural Alkaloid Berberine


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Complex Between Monomolecular Human Telomeric G-Quadruplex and A Sulfonamide Derivative of the Natural Alkaloid Berberine within 5.0Å range: probe atom residue distance (Å) B Occ A:K101 b:32.6 occ:1.00 O6 A:DG16 2.6 33.5 1.0 O6 A:DG4 2.6 35.0 1.0 O6 A:DG22 2.7 33.1 1.0 O6 A:DG10 2.7 34.3 1.0 O6 A:DG3 2.8 35.5 1.0 O6 A:DG21 2.9 36.9 1.0 O6 A:DG15 2.9 35.0 1.0 O6 A:DG9 3.0 35.9 1.0 K A:K102 3.5 32.6 1.0 C6 A:DG22 3.6 36.8 1.0 C6 A:DG16 3.6 36.3 1.0 C6 A:DG4 3.6 38.5 1.0 C6 A:DG10 3.6 39.4 1.0 C6 A:DG3 3.7 32.9 1.0 C6 A:DG15 3.7 29.9 1.0 C6 A:DG21 3.7 34.2 1.0 C6 A:DG9 3.8 38.8 1.0 N1 A:DG22 3.9 32.5 1.0 N1 A:DG16 3.9 33.0 1.0 C10 A:7VE105 3.9 44.6 0.5 N1 A:DG4 3.9 32.2 1.0 N1 A:DG10 4.0 35.6 1.0 N1 A:DG3 4.0 34.2 1.0 N1 A:DG15 4.0 33.9 1.0 N1 A:DG21 4.0 33.4 1.0 N1 A:DG9 4.1 34.3 1.0 C11 A:7VE104 4.3 55.5 0.5 C11 A:7VE105 4.8 62.9 0.5 N1 A:7VE105 4.8 52.5 0.5 C5 A:DG3 4.9 33.3 1.0 C10 A:7VE104 4.9 64.0 0.5 C5 A:DG22 4.9 36.7 1.0 C5 A:DG16 4.9 35.8 1.0 C5 A:DG4 4.9 34.6 1.0 C5 A:DG10 4.9 37.0 1.0 C5 A:DG21 4.9 32.4 1.0 C5 A:DG15 4.9 34.3 1.0 N1 A:7VE104 4.9 55.6 0.5

Potassium binding site 2 out of 3 in the Complex Between Monomolecular Human Telomeric G-Quadruplex and A Sulfonamide Derivative of the Natural Alkaloid Berberine


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Complex Between Monomolecular Human Telomeric G-Quadruplex and A Sulfonamide Derivative of the Natural Alkaloid Berberine within 5.0Å range: probe atom residue distance (Å) B Occ A:K102 b:32.6 occ:1.00 O6 A:DG20 2.7 31.9 1.0 O6 A:DG2 2.7 33.5 1.0 O6 A:DG14 2.8 32.6 1.0 O6 A:DG21 2.8 36.9 1.0 O6 A:DG15 2.8 35.0 1.0 O6 A:DG3 2.8 35.5 1.0 O6 A:DG8 2.8 32.4 1.0 O6 A:DG9 2.9 35.9 1.0 K A:K101 3.5 32.6 1.0 K A:K103 3.5 30.8 0.5 C6 A:DG20 3.6 32.9 1.0 C6 A:DG14 3.6 33.1 1.0 C6 A:DG3 3.6 32.9 1.0 C6 A:DG15 3.6 29.9 1.0 C6 A:DG2 3.7 31.9 1.0 C6 A:DG21 3.7 34.2 1.0 C6 A:DG8 3.7 32.2 1.0 C6 A:DG9 3.7 38.8 1.0 N1 A:DG15 3.9 33.9 1.0 N1 A:DG14 3.9 34.0 1.0 N1 A:DG3 3.9 34.2 1.0 N1 A:DG20 4.0 31.3 1.0 N1 A:DG2 4.0 32.2 1.0 N1 A:DG21 4.0 33.4 1.0 N1 A:DG8 4.0 32.9 1.0 N1 A:DG9 4.0 34.3 1.0 C5 A:DG20 4.8 34.2 1.0 C5 A:DG14 4.8 33.5 1.0 C5 A:DG2 4.9 33.4 1.0 C5 A:DG3 4.9 33.3 1.0 C5 A:DG15 4.9 34.3 1.0 C5 A:DG8 4.9 31.6 1.0 C5 A:DG21 4.9 32.4 1.0 C5 A:DG9 5.0 34.5 1.0

Potassium binding site 3 out of 3 in the Complex Between Monomolecular Human Telomeric G-Quadruplex and A Sulfonamide Derivative of the Natural Alkaloid Berberine


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Complex Between Monomolecular Human Telomeric G-Quadruplex and A Sulfonamide Derivative of the Natural Alkaloid Berberine within 5.0Å range: probe atom residue distance (Å) B Occ A:K103 b:30.8 occ:0.50 O6 A:DG14 2.9 32.6 1.0 O6 A:DG8 2.9 32.4 1.0 O6 A:DG2 3.0 33.5 1.0 O6 A:DG20 3.0 31.9 1.0 K A:K102 3.5 32.6 1.0 C6 A:DG14 3.7 33.1 1.0 C6 A:DG2 3.8 31.9 1.0 C6 A:DG8 3.8 32.2 1.0 C6 A:DG20 3.8 32.9 1.0 N1 A:DG14 4.0 34.0 1.0 N1 A:DG2 4.1 32.2 1.0 N1 A:DG20 4.1 31.3 1.0 N1 A:DG8 4.1 32.9 1.0 C5 A:DG14 5.0 33.5 1.0 C5 A:DG8 5.0 31.6 1.0 C5 A:DG2 5.0 33.4 1.0 C5 A:DG20 5.0 34.2 1.0

C.Bazzicalupi, P.Gratteri, A.Petreni, A.Nocentini, C.Supuran, A.Randazzo. Complex Between Monomolecular Human Telomeric G-Quadruplex and A Sulfonamide Derivative of the Natural Alkaloid Berberine To Be Published.