› 443d

X-ray diffraction
1.6Å resolution

5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'/ BENZIMIDAZOLE DERIVATIVE COMPLEX

Released:
DOI: 10.2210/pdb443d/pdb
PDB entry 443d coloured by chain, front view.
PDB entry 443d coloured by chain, side view.
PDB entry 443d coloured by chain, top view.
Source organism: Synthetic construct
Primary publication:
Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Squire CJ, Baker LJ, Clark GR, Martin RF, White J
Nucleic Acids Res 28 1252-8 (2000)
PMID: 10666470

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-117150 (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 IA 1 x IA
Ligand MG 2 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SIEMENS
Spacegroup: P212121
Unit cell:
a: 24.913Å b: 34.153Å c: 61.296Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.158 not available not available
Expression system: Not provided

Quick links

Citations

2 review citations

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

6 mentions without citation

DNA conformations and their sequence preferences.
Svozil et al. (2008)
5 more