MolNFT v1 · #9454 · DNA
Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity
1HX4 · 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3': “Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to…”. Solution nmr, 1 ligand (BPJ). MolNFT v1 #9454 on GenesisL1: 3D structure, binding…
- PDB
- 1HX4
- Type
- DNA
- Length
- 22 nucleotides
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3'; 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3'
- Ligands
- BPJ
Structure
solution nmr · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3' | dna | 11 | — | — |
| B | 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | dna | 11 | — | — |
Ligands and binding sites
- BPJ · (1R)-1,2,3,4-tetrahydro-benzo[c]phenanthrene-2,3,4-triol · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
1 interface between chains.
- A–B · 527 Ų buried · 60 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 1HX4 · Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation… · 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 1HX4 · PDBe 1HX4
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