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

The structure of The First Crystal Structure of A Human Telomeric G-Quadruplex Dna Bound to A Metal-Containing Ligand (A Nickel Complex), PDB code: 3qsf 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 (°)	44.020, 54.909, 33.691, 90.00, 90.00, 90.00
R / Rfree (%)	23.7 / 32

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

Fluorine	(F)	2 atoms
Nickel	(Ni)	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 Nickel Complex) (pdb code 3qsf). 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 Nickel Complex), PDB code: 3qsf:
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 Nickel 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 Nickel Complex) within 5.0Å range: probe atom residue distance (Å) B Occ X:K2013 b:30.9 occ:0.50 O6 X:DG1010 2.6 21.1 1.0 O6 X:DG1009 2.7 27.2 1.0 O6 X:DG1004 2.9 24.1 1.0 O6 X:DG1003 2.9 22.3 1.0 C6 X:DG1010 3.6 16.4 1.0 C6 X:DG1009 3.6 18.8 1.0 K X:K2014 3.7 24.2 0.5 C6 X:DG1003 3.7 13.8 1.0 C6 X:DG1004 3.8 20.7 1.0 N1 X:DG1003 3.8 16.3 1.0 N1 X:DG1004 4.0 18.7 1.0 N1 X:DG1010 4.0 17.8 1.0 N1 X:DG1009 4.1 16.4 1.0 C5 X:DG1009 4.7 17.4 1.0 NI1 X:NUF3016 4.8 33.0 0.5 N2 X:NUF3016 4.8 30.8 0.5 C5 X:DG1010 4.8 16.2 1.0 C5 X:DG1003 4.9 14.9 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 Nickel 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 Nickel Complex) within 5.0Å range: probe atom residue distance (Å) B Occ X:K2014 b:24.2 occ:0.50 K X:K2015 2.4 4.5 0.2 O6 X:DG1002 2.7 22.4 1.0 O6 X:DG1008 2.8 15.0 1.0 O6 X:DG1009 2.8 27.2 1.0 O6 X:DG1003 3.0 22.3 1.0 C6 X:DG1008 3.6 12.4 1.0 K X:K2013 3.7 30.9 0.5 C6 X:DG1002 3.7 16.4 1.0 C6 X:DG1009 3.7 18.8 1.0 C6 X:DG1003 3.8 13.8 1.0 N1 X:DG1008 3.8 12.1 1.0 N1 X:DG1009 4.0 16.4 1.0 N1 X:DG1002 4.0 17.1 1.0 N1 X:DG1003 4.0 16.3 1.0 C5 X:DG1008 4.7 10.1 1.0 C5 X:DG1003 4.9 14.9 1.0 C5 X:DG1002 4.9 13.3 1.0 C5 X:DG1009 4.9 17.4 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 Nickel 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 Nickel Complex) within 5.0Å range: probe atom residue distance (Å) B Occ X:K2015 b:4.5 occ:0.25 O6 X:DG1002 2.4 22.4 1.0 K X:K2014 2.4 24.2 0.5 O6 X:DG1008 2.4 15.0 1.0 C6 X:DG1002 3.4 16.4 1.0 C6 X:DG1008 3.4 12.4 1.0 N1 X:DG1008 3.7 12.1 1.0 N1 X:DG1002 3.7 17.1 1.0 C5 X:DG1002 4.6 13.3 1.0 C5 X:DG1008 4.7 10.1 1.0 O6 X:DG1009 4.8 27.2 1.0 O6 X:DG1003 4.8 22.3 1.0 C2 X:DG1008 5.0 13.3 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