› 4bzu

Solution NMR

The Solution Structure of the MLN 944-d(TATGCATA)2 Complex

Released:
DOI: 10.2210/pdb4bzu/pdb
PDB entry 4bzu coloured by chain, front view.
PDB entry 4bzu coloured by chain, side view.
PDB entry 4bzu coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
The solution structure of bis(phenazine-1-carboxamide)-DNA complexes: MLN 944 binding corrected and extended.
Serobian A, Thomas DS, Ball GE, Denny WA, Wakelin LP
Biopolymers 101 1099-113 (2014)
PMID: 24898663

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-117271 (preferred)
Entry contents:
1 distinct DNA molecule
Macromolecule:
DNA Chains: A, B
Molecule details ›
Chains: A, B
Length: 8 nucleotides
Theoretical weight: 2.43 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand XR2 1 x XR2
No modified residues

Experiments and Validation Details

Entry percentile scores
Chemical shift assignment: 21%
Refinement method: AMBER - MOLECULAR DYNAMICS
Expression system: Not provided

Quick links

Citations

1 review citation

Novel DNA Bis-Intercalator XR5944 as a Potent Anticancer Drug-Design and Mechanism of Action.
Buric et al. (2021)