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MolNFT v1 · #116467 · RNA

RNA octamer containing dt

5DEK · RNA oligonucleotide containing dt: “RNA octamer containing dt”. X-ray diffraction, 1 ligand (NCO), 3 pockets (best druggability 0.37). MolNFT v1 #116467 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5DEK
Type
RNA
Length
32 nucleotides
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA oligonucleotide containing dt
Ligands
NCO
Pockets
3 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DRNA oligonucleotide containing dtrna8——

Ligands and binding sites

  • NCO · Cobalt hexammine(iii) · ligand · 2 copies · chains B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11130.370.7511empty
2840.290.7312empty
3810.270.7212empty

Interfaces

4 interfaces between chains.

  • C–D · 405 Ų buried · 46 hydrogen bonds · nucleic-nucleic
  • A–B · 397 Ų buried · 42 hydrogen bonds · nucleic-nucleic
  • A–C · 89 Ų buried · 0 hydrogen bonds · nucleic-nucleic
  • B–D · 52 Ų buried · 2 hydrogen bonds · nucleic-nucleic

Compared structures

  • 5DEK · RNA octamer containing dT · the same entry in another collection · chain A against A, TM-score 1.00

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