MolNFT v1 · #17782 · DNA

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

1P3X · DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*A)-3'): “Intramolecular DNA triplex with 1-propynyl deoxyuridine in the third strand, NMR, 10 structures”. Solution nmr, 1 pocket (best druggability 0.29). MolNFT v1 #17782 on GenesisL1: 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.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	DNA (5'-D(APGPAPGPAPGPAPA)-3')	dna	16	—	—
B	DNA (5'-D(TPTPCPTPCPTPCPT)-3')	dna	8	—	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	50	0.29	0.76	8	empty

Interfaces

1 interface between chains.

A–B · 434 Å² 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

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 1P3X · PDBe 1P3X

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