Potassium in PDB 3qsc: The First Crystal Structure of A Human Telomeric G-Quadruplex Dna Bound to A Metal-Containing Ligand (A Copper Complex)

The structure of The First Crystal Structure of A Human Telomeric G-Quadruplex Dna Bound to A Metal-Containing Ligand (A Copper Complex), PDB code: 3qsc was solved by N.H.Campbell, N.H.Abd Karim, G.N.Parkinson, R.Vilar, S.Neidle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.40
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	43.753, 54.786, 33.430, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 23.4

The structure of The First Crystal Structure of A Human Telomeric G-Quadruplex Dna Bound to A Metal-Containing Ligand (A Copper Complex) also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Bromine	(Br)	1 atom
Copper	(Cu)	1 atom

The binding sites of Potassium atom in the The First Crystal Structure of A Human Telomeric G-Quadruplex Dna Bound to A Metal-Containing Ligand (A Copper Complex) (pdb code 3qsc). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the The First Crystal Structure of A Human Telomeric G-Quadruplex Dna Bound to A Metal-Containing Ligand (A Copper Complex), PDB code: 3qsc:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in the The First Crystal Structure of A Human Telomeric G-Quadruplex Dna Bound to A Metal-Containing Ligand (A Copper Complex)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of The First Crystal Structure of A Human Telomeric G-Quadruplex Dna Bound to A Metal-Containing Ligand (A Copper Complex) within 5.0Å range: probe atom residue distance (Å) B Occ X:K2013 b:23.7 occ:0.50 O6 X:DG1009 2.6 27.4 1.0 O6 X:DG1010 2.7 23.5 1.0 O6 X:DG1003 2.8 25.3 1.0 O6 X:DG1004 2.8 31.0 1.0 K X:K2014 3.5 25.7 0.5 C6 X:DG1009 3.6 22.5 1.0 C6 X:DG1003 3.6 17.6 1.0 C6 X:DG1010 3.7 20.8 1.0 C6 X:DG1004 3.8 25.5 1.0 N1 X:DG1003 3.8 21.8 1.0 N1 X:DG1010 4.0 22.3 1.0 N1 X:DG1009 4.0 21.8 1.0 N1 X:DG1004 4.0 22.7 1.0 C5 X:DG1009 4.8 21.8 1.0 N2 X:CUF3016 4.8 40.5 0.5 CU1 X:CUF3016 4.9 42.9 0.5 C5 X:DG1003 4.9 16.0 1.0 C5 X:DG1010 4.9 20.3 1.0

Potassium binding site 2 out of 3 in the The First Crystal Structure of A Human Telomeric G-Quadruplex Dna Bound to A Metal-Containing Ligand (A Copper Complex)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of The First Crystal Structure of A Human Telomeric G-Quadruplex Dna Bound to A Metal-Containing Ligand (A Copper Complex) within 5.0Å range: probe atom residue distance (Å) B Occ X:K2014 b:25.7 occ:0.50 O6 X:DG1008 2.8 17.9 1.0 K X:K2015 2.8 26.9 0.2 O6 X:DG1002 2.9 25.4 1.0 O6 X:DG1003 2.9 25.3 1.0 O6 X:DG1009 3.0 27.4 1.0 K X:K2013 3.5 23.7 0.5 C6 X:DG1008 3.6 14.7 1.0 C6 X:DG1003 3.7 17.6 1.0 C6 X:DG1002 3.8 20.4 1.0 C6 X:DG1009 3.8 22.5 1.0 N1 X:DG1008 3.8 15.0 1.0 N1 X:DG1002 4.0 22.1 1.0 N1 X:DG1009 4.0 21.8 1.0 N1 X:DG1003 4.1 21.8 1.0 C5 X:DG1008 4.7 15.1 1.0 C5 X:DG1003 4.8 16.0 1.0

Potassium binding site 3 out of 3 in the The First Crystal Structure of A Human Telomeric G-Quadruplex Dna Bound to A Metal-Containing Ligand (A Copper Complex)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of The First Crystal Structure of A Human Telomeric G-Quadruplex Dna Bound to A Metal-Containing Ligand (A Copper Complex) within 5.0Å range: probe atom residue distance (Å) B Occ X:K2015 b:26.9 occ:0.25 O6 X:DG1008 2.6 17.9 1.0 O6 X:DG1002 2.6 25.4 1.0 K X:K2014 2.8 25.7 0.5 C6 X:DG1002 3.5 20.4 1.0 C6 X:DG1008 3.5 14.7 1.0 N1 X:DG1008 3.7 15.0 1.0 N1 X:DG1002 3.8 22.1 1.0 C5 X:DG1002 4.8 15.6 1.0 C5 X:DG1008 4.9 15.1 1.0

N.H.Campbell, N.H.Karim, G.N.Parkinson, M.Gunaratnam, V.Petrucci, A.K.Todd, R.Vilar, S.Neidle. Molecular Basis of Structure-Activity Relationships Between Salphen Metal Complexes and Human Telomeric Dna Quadruplexes. J.Med.Chem. V. 55 209 2012.
ISSN: ISSN 0022-2623
PubMed: 22112241
DOI: 10.1021/JM201140V