› 109d

X-ray diffraction
2Å resolution

VARIABILITY IN DNA MINOR GROOVE WIDTH RECOGNISED BY LIGAND BINDING: THE CRYSTAL STRUCTURE OF A BIS-BENZIMIDAZOLE COMPOUND BOUND TO THE DNA DUPLEX D(CGCGAATTCGCG)2

Released:
DOI: 10.2210/pdb109d/pdb
PDB entry 109d coloured by chain, front view.
PDB entry 109d coloured by chain, side view.
PDB entry 109d coloured by chain, top view.
Source organism: Synthetic construct
Primary publication:
Variability in DNA minor groove width recognised by ligand binding: the crystal structure of a bis-benzimidazole compound bound to the DNA duplex d(CGCGAATTCGCG)2.
Wood AA, Nunn CM, Czarny A, Boykin DW, Neidle S
Nucleic Acids Res 23 3678-84 (1995)
PMID: 7478996

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-113300 (preferred)
Entry contents:
1 distinct DNA molecule
Macromolecule:
DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') Chains: A, B
Molecule details ›
Chains: A, B
Length: 12 nucleotides
Theoretical weight: 3.66 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: ENRAF-NONIUS
Spacegroup: P212121
Unit cell:
a: 24.59Å b: 40.44Å c: 65.76Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.197 0.197 not available
Expression system: Not provided

Quick links

Citations

2 review citations

Synthetic DNA minor groove-binding drugs.
Reddy et al. (1999)
1 more

6 mentions without citation

Modifications of quinolones and fluoroquinolones: hybrid compounds and dual-action molecules.
Fedorowicz et al. (2018)
5 more