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Intramolecular DNA triplex with 1-propynyl deoxyuridine in the third strand, NMR, 10 structures

Analyse Intramolecular DNA triplex with 1-propynyl deoxyuridine in the third strand… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1P3X
Type
DNA
Length
24 nucleotides
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*A)-3'); DNA (5'-D(*TP*TP*CP*TP*CP*TP*CP*T)-3')
Pockets
1 · best druggability 0.29

Structure

solution nmr · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*A)-3')dna16——
BDNA (5'-D(*TP*TP*CP*TP*CP*TP*CP*T)-3')dna8——

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1500.290.768empty

Interfaces

1 interface between chains.

  • A–B · 434 Ų buried · 42 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 6 modified (nucleotide modification).

Compared structures

  • 1P3X · Intramolecular DNA triplex with 1-propynyl deoxyuridine in the third strand, NMR, 10… · the same entry in another collection · chain B against B, TM-score 1.00

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