› 444d

X-ray diffraction
2.4Å resolution

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

Released:
DOI: 10.2210/pdb444d/pdb
PDB entry 444d coloured by chain, front view.
PDB entry 444d coloured by chain, side view.
PDB entry 444d 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-117151 (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

1 bound ligand:
Ligand IB 1 x IB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SIEMENS
Spacegroup: P212121
Unit cell:
a: 25.37Å b: 40.48Å c: 66.08Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.205 0.205 0.249
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