MolNFT v1 · #23648 · DNA
Mispairing of a site-specific major groove (2S,3S)-N6-(2,3,4- trihydroxybutyl)-2-deoxyadenosyl DNA adduct of butadiene diol epoxide with deoxyguanosine: formation of a DA(ANTI)DG(ANTI) pairing interaction
1U6O · 5'-D(*CP*GP*GP*AP*CP*(2BU)P*AP*GP*AP*AP*G)-3': “Mispairing of a site-specific major groove (2S,3S)-N6-(2,3,4- trihydroxybutyl)-2-deoxyadenosyl DNA adduct of…”. Solution nmr. MolNFT v1 #23648 on GenesisL1: 3D structure, binding sites…
- PDB
- 1U6O
- Type
- DNA
- Length
- 22 nucleotides
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*CP*GP*GP*AP*CP*(2BU)P*AP*GP*AP*AP*G)-3'; 5'-D(*CP*TP*TP*CP*TP*GP*GP*TP*CP*CP*G)-3'
Structure
solution nmr · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 5'-D(*CP*GP*GP*AP*CP*(2BU)P*AP*GP*AP*AP*G)-3' | dna | 11 | — | — |
| B | 5'-D(*CP*TP*TP*CP*TP*GP*GP*TP*CP*CP*G)-3' | dna | 11 | — | — |
Interfaces
1 interface between chains.
- A–B · 499 Ų buried · 44 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 1 modified (nucleotide modification).
Compared structures
- 1U6O · Mispairing of a Site-Specific Major Groove (2S,3S)-N6-(2,3,4-Trihydroxybutyl)-2-deoxyadeno… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 1U6O · PDBe 1U6O
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