› 1hx4

Solution NMR

MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY

Released:
DOI: 10.2210/pdb1hx4/pdb
PDB entry 1hx4 coloured by chain, ensemble of 9 models, front view.
PDB entry 1hx4 coloured by chain, ensemble of 9 models, side view.
PDB entry 1hx4 coloured by chain, ensemble of 9 models, top view.
Source organism: Synthetic construct
Primary publication:
Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity.
Lin CH, Huang X, Kolbanovskii A, Hingerty BE, Amin S, Broyde S, Geacintov NE, Patel DJ
J Mol Biol 306 1059-80 (2001)
PMID: 11237618

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-113921 (preferred)
Entry contents:
2 distinct DNA molecules
Macromolecules (2 distinct):
5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3' Chain: A
Molecule details ›
Chain: A
Length: 11 nucleotides
Theoretical weight: 3.25 KDa
Source organism: Synthetic construct
Expression system: Not provided
5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' Chain: B
Molecule details ›
Chain: B
Length: 11 nucleotides
Theoretical weight: 3.45 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
Refinement method: torsion angle dynamics, simulated annealing, relaxation matrix refinements, energe minimization
Expression system: Not provided

Quick links

Citations

5 review citations

Chirality as a tool in nucleic acid recognition: principles and relevance in biotechnology and in medicinal chemistry.
Corradini et al. (2007)
4 more

2 mentions without citation

Nuclear magnetic resonance solution structure of an N(2)-guanine DNA adduct derived from the potent tumorigen dibenzo[a,l]pyrene: intercalation from the minor groove with ruptured Watson-Crick base pairing.
Tang et al. (2012)
1 more