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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
204D
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.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDNA (5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3')dna8——

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 · 393 Ų buried · 51 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 204D · 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

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