› 3ey0

X-ray diffraction
2.52Å resolution

A new form of DNA-drug interaction in the minor groove of a coiled coil

Released:
DOI: 10.2210/pdb3ey0/pdb
PDB entry 3ey0 coloured by chain, front view.
PDB entry 3ey0 coloured by chain, side view.
PDB entry 3ey0 coloured by chain, top view.
Source organism: Synthetic construct
Primary publication:
Coiled-coil conformation of a pentamidine-DNA complex.
Moreno T, Pous J, Subirana JA, Campos JL
Acta Crystallogr D Biol Crystallogr 66 251-7 (2010)
PMID: 20179336

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-116223 (preferred)
Entry contents:
1 distinct DNA molecule
Macromolecule:
5'-D(*DAP*DTP*DAP*DTP*DAP*DTP*DAP*DTP*DAP*DT)-3' Chains: A, B
Molecule details ›
Chains: A, B
Length: 10 nucleotides
Theoretical weight: 3.04 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand PNT 1 x PNT
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM16
Spacegroup: P6522
Unit cell:
a: 27.789Å b: 27.789Å c: 311.95Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.222 0.216 0.277
Expression system: Not provided

Quick links

Citations

2 review citations

MAOS and medicinal chemistry: some important examples from the last years.
Nascimento-Júnior et al. (2011)
1 more

6 mentions without citation

Structure-based DNA-targeting strategies with small molecule ligands for drug discovery.
Sheng et al. (2013)
5 more