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Duplex [5'-D(GCGTA+TACGC)]2 with incorporated 2'-O- ethoxymethylene ribonucleoside

Analyse Duplex [5'-D(GCGTA+TACGC)]2 with incorporated 2'-O- ethoxymethylene… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
410D
Type
DNA
Length
20 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*GP*CP*GP*TP*AP*(T38)P*AP*CP*GP*C)-3')
Ligands
SPM
Pockets
1 · best druggability 0.30

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDNA (5'-D(*GP*CP*GP*TP*AP*(T38)P*AP*CP*GP*C)-3')dna10——

Ligands and binding sites

  • SPM · Spermine · ligand · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11060.300.7116empty

Interfaces

1 interface between chains.

  • A–B · 519 Ų buried · 44 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 2 modified (nucleotide modification).

Compared structures

  • 410D · Duplex [5'-D(GCGTA+TACGC)]2 with incorporated 2'-O-ethoxymethylene ribonucleoside · the same entry in another collection · chain A against A, TM-score 1.00

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