› 2kh3

Solution NMR

NMR Structure of Aflatoxin Formamidopyrimidine alpha-anomer in duplex DNA

Released:
DOI: 10.2210/pdb2kh3/pdb
PDB entry 2kh3 coloured by chain, ensemble of 9 models, front view.
PDB entry 2kh3 coloured by chain, ensemble of 9 models, side view.
PDB entry 2kh3 coloured by chain, ensemble of 9 models, top view.
Source organism: Synthetic construct
Primary publication:
Structural perturbations induced by the alpha-anomer of the aflatoxin B(1) formamidopyrimidine adduct in duplex and single-strand DNA.
Brown KL, Voehler MW, Magee SM, Harris CM, Harris TM, Stone MP
J Am Chem Soc 131 16096-107 (2009)
PMID: 19831353

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-115479 (preferred)
Entry contents:
2 distinct DNA molecules
Macromolecules (2 distinct):
5'-D(*CP*TP*AP*TP*(FAG)P*AP*TP*TP*CP*A)-3' Chain: A
Molecule details ›
Chain: A
Length: 10 nucleotides
Theoretical weight: 3.37 KDa
Source organism: Synthetic construct
Expression system: Not provided
5'-D(*TP*GP*AP*AP*TP*CP*AP*TP*AP*G)-3' Chain: B
Molecule details ›
Chain: B
Length: 10 nucleotides
Theoretical weight: 3.07 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
Chemical shift assignment: 48%
Refinement method: simulated annealing, molecular dynamics, simulated annealing and rMD refinement in explicit solvent
Expression system: Not provided

Quick links

Citations

12 citation in other articles

Molecular basis of aflatoxin-induced mutagenesis-role of the aflatoxin B1-formamidopyrimidine adduct.
Lin et al. (2014)
11 more

6 mentions without citation

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