› 3t5e

X-ray diffraction
2.1Å resolution

Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the naphthalene diimide BMSG-SH-4

Released:
DOI: 10.2210/pdb3t5e/pdb
PDB entry 3t5e coloured by chain, front view.
PDB entry 3t5e coloured by chain, side view.
PDB entry 3t5e 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-116910 (preferred)
Entry contents:
1 distinct DNA molecule
Macromolecule:
human telomeric DNA 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 T5E 1 x T5E
Ligand K 3 x K
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P6
Unit cell:
a: 63.034Å b: 63.034Å c: 42.389Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.245 0.243 0.282
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

6 mentions without citation

Major Achievements in the Design of Quadruplex-Interactive Small Molecules.
Mendes et al. (2022)
5 more