› 3qsc

X-ray diffraction
2.4Å resolution

The first crystal structure of a human telomeric G-quadruplex DNA bound to a metal-containing ligand (a copper complex)

Released:
DOI: 10.2210/pdb3qsc/pdb
PDB entry 3qsc coloured by chain, front view.
PDB entry 3qsc coloured by chain, side view.
PDB entry 3qsc coloured by chain, top view.
Source organism: Synthetic construct
Primary publication:
Molecular basis of structure-activity relationships between salphen metal complexes and human telomeric DNA quadruplexes.
Campbell NH, Karim NH, Parkinson GN, Gunaratnam M, Petrucci V, Todd AK, Vilar R, Neidle S
J Med Chem 55 209-22 (2012)
PMID: 22112241

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-116784 (preferred)
Entry contents:
1 distinct DNA molecule
Macromolecule:
5'-D(*AP*GP*GP*GP*TP*(BRU)P*AP*GP*GP*GP*TP*T)-3' Chain: X
Molecule details ›
Chain: X
Length: 12 nucleotides
Theoretical weight: 3.84 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand K 3 x K
Ligand CUF 1 x CUF
1 modified residue:
Ligand BRU 1 x BRU

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: C222
Unit cell:
a: 43.753Å b: 54.786Å c: 33.43Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.214 0.213 0.234
Expression system: Not provided

Quick links

Citations

6 review citations

Causes of genome instability: the effect of low dose chemical exposures in modern society.
Langie et al. (2015)
5 more

4 mentions without citation

Insights into the Small Molecule Targeting of Biologically Relevant G-Quadruplexes: An Overview of NMR and Crystal Structures.
Criscuolo et al. (2022)
3 more