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MolNFT v1 · #17412 · DNA

Structural study of DNA duplex containaing a N-(2-deoxy-beta-erytho- pentofuranosyl) formamide frameshift by NMR and restrained molecular dynamics

1OSR · 5'-D(*AP*GP*GP*AP*CP*CP*AP*CP*G)-3': “Structural study of DNA duplex containaing a N-(2-deoxy-beta-erytho- pentofuranosyl) formamide frameshift by…”. Solution nmr, 1 pocket (best druggability 0.24). MolNFT v1 #17412 on GenesisL1: 3D…

PDB
1OSR
Type
DNA
Length
19 nucleotides
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*AP*GP*GP*AP*CP*CP*AP*CP*G)-3'; 5'-D(*CP*GP*TP*GP*GP*(2DF)P*TP*CP*CP*T)-3'
Pockets
1 · best druggability 0.24

Structure

solution nmr · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A5'-D(*AP*GP*GP*AP*CP*CP*AP*CP*G)-3'dna9——
B5'-D(*CP*GP*TP*GP*GP*(2DF)P*TP*CP*CP*T)-3'dna10——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1590.240.7215empty

Interfaces

1 interface between chains.

  • A–B · 406 Ų buried · 43 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 1OSR · Structural study of dna duplex containaing a n-(2-deoxy-beta-erytho-pentofuranosyl)… · the same entry in another collection · chain A against A, TM-score 1.00

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