› 3sc8

X-ray diffraction
2.3Å resolution

Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the naphthalene diimide BMSG-SH-3

Released:
DOI: 10.2210/pdb3sc8/pdb
PDB entry 3sc8 coloured by chain, front view.
PDB entry 3sc8 coloured by chain, side view.
PDB entry 3sc8 coloured by chain, top view.
Source organism: Synthetic construct
Primary publication:
Structural basis for telomeric G-quadruplex targeting by naphthalene diimide ligands.
Collie GW, Promontorio R, Hampel SM, Micco M, Neidle S, Parkinson GN
J Am Chem Soc 134 2723-31 (2012)
PMID: 22280460

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-116875 (preferred)
Entry contents:
1 distinct DNA molecule
Macromolecule:
Human telomeric repeat sequence Chain: A
Molecule details ›
Chain: A
Length: 22 nucleotides
Theoretical weight: 6.98 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand K 3 x K
Ligand R8G 1 x R8G
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P3121
Unit cell:
a: 50.87Å b: 50.87Å c: 52.46Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.26 0.258 0.288
Expression system: Not provided

Quick links

Citations

7 review citations

G-quadruplexes and G-quadruplex ligands: targets and tools in antiviral therapy.
Ruggiero et al. (2018)
6 more

12 mentions without citation

G-quadruplex virtual drug screening: A review.
Monsen et al. (2018)
11 more