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The crystal structure of human ARGONAUTE2 bound to a defined guide RNA

Analyse The crystal structure of human ARGONAUTE2 bound to a defined guide RNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4W5N
Type
protein + RNA
Length
823 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein argonaute-2; RNA (5'- R(P*UP*UP*CP*AP*CP*AP*UP*UP*CP*AP*AP*GP*UP*CP*UP*CP*UP*U)-3'…
EC
3.1.26.-
UniProt
Q9UKV8
Ligands
IPH, MG
Pockets
10 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein argonaute-2 (EC 3.1.26.-)protein80630% helix, 28% strandQ9UKV8
BRNA (5'- R(P*UP*UP*CP*AP*CP*AP*UP*UP*CP*AP*AP*GP*UP*CP*UP*CP*UP*U)-3')rna17——

Ligands and binding sites

  • IPH · Phenol · ligand · 3 copies · chains A
  • MG · Magnesium ion · metal · chains A

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

Pockets

10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18640.790.8285IPH, MG
26550.790.8474empty
32680.670.8326empty
42320.590.8026empty
5640.380.8015empty

Interfaces

1 interface between chains.

  • A–B · 2383 Ų buried · 61 hydrogen bonds · protein-nucleic

Compared structures

  • 4W5N · The Crystal Structure of Human Argonaute2 Bound to a Defined Guide RNA · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UKV8 · AlphaFold monomer V2.0 prediction for protein argonaute-2 (Q9UKV8) · a predicted model of the same protein · chain A against A, TM-score 0.97

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