› 1n1n

Solution NMR

Structure of Mispairing of the Deoxycytosine with Deoxyadenosine 5' to the 8,9-Dihydro-8-(N7-guanyl)-9-Hydroxy-Aflatoxin B1 Adduct

Released:
DOI: 10.2210/pdb1n1n/pdb
PDB entry 1n1n coloured by chain, front view.
PDB entry 1n1n coloured by chain, side view.
PDB entry 1n1n coloured by chain, top view.
Source organism: Synthetic construct
Primary publication:
Wobble dC.dA pairing 5' to the cationic guanine N7 8,9-dihydro-8-(N7-guanyl)-9-hydroxyaflatoxin B1 adduct: implications for nontargeted AFB1 mutagenesis.
Giri I, Stone MP
Biochemistry 42 7023-34 (2003)
PMID: 12795597

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-114219 (preferred)
Entry contents:
2 distinct DNA molecules
Macromolecules (2 distinct):
5'-D(*AP*CP*AP*TP*CP*GP*AP*TP*CP*T)-3' Chain: A
Molecule details ›
Chain: A
Length: 10 nucleotides
Theoretical weight: 3 KDa
Source organism: Synthetic construct
Expression system: Not provided
5'-D(*AP*GP*AP*TP*CP*AP*AP*TP*GP*T)-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

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

Experiments and Validation Details

wwPDB Validation report is not available for this NMR entry.
Refinement method: distance geometry simulated annealing NMR data : Felix 97, 2000 molecular dynamics : XPLOR, AMBER matrix relaxation CORMA torsion angle dynamics Gaussian 98, INSIGHTII (2000)
Expression system: Not provided

Quick links

Citations

4 citation in other articles

Constant pH Molecular Dynamics Simulations of Nucleic Acids in Explicit Solvent.
Goh et al. (2012)
3 more

2 mentions without citation

Exploring DNA structure with Cn3D.
Porter et al. (2007)
1 more