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MolNFT v1 · #49125 · RNA

HIV-1 subtype F dis RNA extended duplex form

2QEK · HIV-1 subtype F dis genomic RNA: “HIV-1 subtype F dis RNA extended duplex form”. X-ray diffraction, 2 ligands (K, MG), 2 pockets (best druggability 0.52). MolNFT v1 #49125 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
2QEK
Type
RNA
Length
46 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
HIV-1 subtype F dis genomic RNA
Ligands
K, MG
Pockets
2 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BHIV-1 subtype F dis genomic RNArna23——

Ligands and binding sites

  • K · Potassium ion · metal · 3 copies · chains A, B
  • MG · Magnesium ion · metal

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14150.520.7327MG, K
22190.420.7318K

Interfaces

1 interface between chains.

  • A–B · 1072 Ų buried · 99 hydrogen bonds · nucleic-nucleic

Compared structures

  • 2QEK · HIV-1 subtype F DIS RNA extended duplex form · the same entry in another collection · chain A against A, TM-score 1.00

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