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NMR solution structure of an N2-guanine DNA adduct derived from the potent tumorigen dibenzo[a,l]pyrene: Intercalation from the minor groove with ruptured Watson-Crick base pairing

Solution NMR
PDB entry 2lzk coloured by chain, ensemble of 5 models, front view.
PDB entry 2lzk coloured by chain, ensemble of 5 models, side view.
PDB entry 2lzk coloured by chain, ensemble of 5 models, top view.
Source organism: Synthetic construct
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct DNA molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: DNA
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Multimeric state: hetero dimer
Accessible surface area: 4543.5 Å2
Buried surface area: 1222.6 Å2
Dissociation area: 611.3 Å2
Dissociation energy (ΔGdiss): -1.94 kcal/mol
Dissociation entropy (TΔSdiss): 9.11 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-115575

Macromolecules

DNA chain A
Name: DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3')
Representative chains: A
Source organism: Synthetic construct [32630]
Expression system: Not provided
Length: 11 nucleotides
Theoretical weight: 3.25 KDa
DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3') in PDB entry 2lzk, assembly 1, front view.
DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3') in PDB entry 2lzk, assembly 1, side view.
DNA (5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3') in PDB entry 2lzk, assembly 1, top view.
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DNA chain B
Name: DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3')
Representative chains: B
Source organism: Synthetic construct [32630]
Expression system: Not provided
Length: 11 nucleotides
Theoretical weight: 3.45 KDa
DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3') in PDB entry 2lzk, assembly 1, front view.
DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3') in PDB entry 2lzk, assembly 1, side view.
DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3') in PDB entry 2lzk, assembly 1, top view.
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