› 1jdg

Solution NMR

Solution Structure of a Trans-Opened (10S)-dA Adduct of (+)-(7S,8R,9S,10R)-7,8-Dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a fully Complementary DNA Duplex

Released:
DOI: 10.2210/pdb1jdg/pdb
PDB entry 1jdg coloured by chain, front view.
PDB entry 1jdg coloured by chain, side view.
PDB entry 1jdg coloured by chain, top view.
Source organism: Synthetic construct
Primary publication:
Solution structure of a trans-opened (10S)-dA adduct of (+)-(7S,8R,9S,10R)-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a fully complementary DNA duplex: evidence for a major syn conformation.
Pradhan P, Tirumala S, Liu X, Sayer JM, Jerina DM, Yeh HJ
Biochemistry 40 5870-81 (2001)
PMID: 11352722

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-113997 (preferred)
Entry contents:
2 distinct DNA molecules
Macromolecules (2 distinct):
5'-D(*CP*GP*GP*TP*CP*(BPA)AP*CP*GP*AP*GP*G)-3' Chain: A
Molecule details ›
Chain: A
Length: 11 nucleotides
Theoretical weight: 3.4 KDa
Source organism: Synthetic construct
Expression system: Not provided
5'-D(*CP*CP*TP*CP*GP*TP*GP*AP*CP*CP*G)-3' Chain: B
Molecule details ›
Chain: B
Length: 11 nucleotides
Theoretical weight: 3.31 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
Refinement method: Simulated Annealing, Restraint Molecular Dynamics, Relaxation Matrix Analysis
Expression system: Not provided

Quick links

Citations

3 review citations

Thermodynamic and structural factors in the removal of bulky DNA adducts by the nucleotide excision repair machinery.
Geacintov et al. (2002)
2 more