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MolNFT v1 · #27625 · RNA

HIV-1 subtype B genomic RNA dimerization initiation site

1XPE · 5'- R(*CP*UP*UP*GP*CP*UP*GP*AP*AP*GP*CP*GP*CP*GP*CP*AP*CP*GP…: “HIV-1 subtype B genomic RNA dimerization initiation site”. X-ray diffraction, 4 ligands (NA, MG, SO4), 1 pocket (best druggability 0.63). MolNFT v1 #27625 on GenesisL1…

PDB
1XPE
Type
RNA
Length
46 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'- R(*CP*UP*UP*GP*CP*UP*GP*AP*AP*GP*CP*GP*CP*GP*CP*AP*CP*GP*GP *CP*AP*AP*G)-3'
Ligands
NA, MG, SO4, CL
Pockets
1 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B5'- R(*CP*UP*UP*GP*CP*UP*GP*AP*AP*GP*CP*GP*CP*GP*CP*AP*CP*GP*GP *CP*AP*AP*G)-3'rna23——

Ligands and binding sites

  • NA · Sodium ion · metal · 4 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A
  • SO4 · Sulfate ion · ion · 4 copies · chains A, B
  • CL · Chloride ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18070.630.7342MG, CL

Interfaces

1 interface between chains.

  • A–B · 376 Ų buried · 38 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1XPE · HIV-1 subtype B genomic RNA Dimerization Initiation Site · the same entry in another collection · chain A against A, TM-score 1.00

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