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The solution structures of psoralen monoadducted and crosslinked DNA oligomers by NMR spectroscopy and restrained molecular dynamics
Analyse The solution structures of psoralen monoadducted and crosslinked DNA oligomers… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 203D
- Type
- DNA
- Length
- 16 nucleotides
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA (5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3')
- Ligands
- PSO
Structure
solution nmr · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | DNA (5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3') | dna | 8 | — | — |
Ligands and binding sites
- PSO · 4'-hydroxymethyl-4,5',8-trimethylpsoralen · 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 · 369 Ų buried · 48 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 203D · The solution structures of psoralen monoadducted and crosslinked DNA oligomers by NMR… · 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 203D · PDBe 203D
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