› 2mhx

Solution NMR

Structure of Exocyclic R,R N6,N6-(2,3-Dihydroxy-1,4-butadiyl)-2'-Deoxyadenosine Adduct Induced by 1,2,3,4-Diepoxybutane in DNA

Released:
DOI: 10.2210/pdb2mhx/pdb
PDB entry 2mhx coloured by chain, ensemble of 8 models, front view.
PDB entry 2mhx coloured by chain, ensemble of 8 models, side view.
PDB entry 2mhx coloured by chain, ensemble of 8 models, top view.
Source organism: Synthetic construct
Primary publication:
Structures of exocyclic R,R- and S,S-N(6),N(6)-(2,3-dihydroxybutan-1,4-diyl)-2'-deoxyadenosine adducts induced by 1,2,3,4-diepoxybutane.
Kowal EA, Seneviratne U, Wickramaratne S, Doherty KE, Cao X, Tretyakova N, Stone MP
OpenAccess logo Chem Res Toxicol 27 805-17 (2014)
PMID: 24741991

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-115618 (preferred)
Entry contents:
2 distinct DNA molecules
Macromolecules (2 distinct):
5'-D(*CP*GP*GP*AP*CP*(RBD)P*AP*GP*AP*AP*G)-3') Chain: A
Molecule details ›
Chain: A
Length: 11 nucleotides
Theoretical weight: 3.5 KDa
Source organism: Synthetic construct
Expression system: Not provided
5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3') Chain: B
Molecule details ›
Chain: B
Length: 11 nucleotides
Theoretical weight: 3.29 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
1 modified residue:
Ligand RBD 1 x RBD

Experiments and Validation Details

Entry percentile scores
Chemical shift assignment: 41%
Refinement method: molecular dynamics
Expression system: Not provided

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Citations

4 citation in other articles

Polymerase Bypass of N(6)-Deoxyadenosine Adducts Derived from Epoxide Metabolites of 1,3-Butadiene.
Kotapati et al. (2015)
3 more

1 mention without citation

Structures of exocyclic R,R- and S,S-N(6),N(6)-(2,3-dihydroxybutan-1,4-diyl)-2'-deoxyadenosine adducts induced by 1,2,3,4-diepoxybutane.
Kowal et al. (2014)