Nickel 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
Potassium	(K)	3 atoms

The binding sites of Nickel 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 Nickel atom.
In total only one binding site of Nickel was 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:

Nickel binding site 1 out of 1 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 Nickel with other atoms in the Ni 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:Ni3016 b:33.0 occ:0.50 NI1 X:NUF3016 0.0 33.0 0.5 N1 X:NUF3016 2.0 29.9 0.5 O2 X:NUF3016 2.0 31.1 0.5 O1 X:NUF3016 2.0 30.9 0.5 N2 X:NUF3016 2.0 30.8 0.5 C8 X:NUF3016 2.8 29.4 0.5 C13 X:NUF3016 2.8 28.6 0.5 C7 X:NUF3016 2.9 31.1 0.5 C14 X:NUF3016 2.9 30.5 0.5 C1 X:NUF3016 3.0 33.3 0.5 C20 X:NUF3016 3.0 31.9 0.5 C6 X:NUF3016 3.3 33.6 0.5 C15 X:NUF3016 3.4 31.7 0.5 O6 X:DG1010 3.8 21.1 1.0 O X:HOH20 3.9 51.8 0.5 O6 X:DG1004 4.1 24.1 1.0 C9 X:NUF3016 4.2 29.1 0.5 C12 X:NUF3016 4.2 27.4 0.5 C19 X:NUF3016 4.2 33.5 0.5 C2 X:NUF3016 4.3 34.3 0.5 N1 X:DG1004 4.3 18.7 1.0 N3 X:DT1011 4.3 38.7 0.5 O4 X:DT1011 4.3 36.7 0.5 C6 X:DG1010 4.3 16.4 1.0 C6 X:DG1004 4.4 20.7 1.0 C4 X:DT1011 4.6 38.6 0.5 C5 X:NUF3016 4.7 33.4 0.5 C16 X:NUF3016 4.8 33.6 0.5 K X:K2013 4.8 30.9 0.5 N1 X:DG1010 4.9 17.8 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