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Crystal structure of human ARGONAUTE2 bound to three tryptophans

Analyse Crystal structure of human ARGONAUTE2 bound to three tryptophans in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6CBD
Type
protein + RNA
Length
814 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein argonaute-2; Guide RNA; Target RNA
EC
3.1.26.-
UniProt
Q9UKV8
Ligands
TRP, MG
Pockets
8 · best druggability 0.88

Structure

x-ray diffraction · 3 distinct chains · 31% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein argonaute-2 (EC 3.1.26.-)protein78731% helix, 27% strandQ9UKV8
BGuide RNArna18——
CTarget RNArna9——

Ligands and binding sites

  • TRP · Tryptophan · ligand · 3 copies · chains A
  • MG · Magnesium ion · metal · 3 copies · chains A, B, C
  • IPA · Isopropyl alcohol · additive · 3 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111310.880.89109MG
21370.670.8919empty
32710.630.8132empty
4530.500.8714IPA
51090.450.7925empty

Interfaces

3 interfaces between chains.

  • A–B · 2338 Ų buried · 64 hydrogen bonds · protein-nucleic
  • A–C · 935 Ų buried · 14 hydrogen bonds · protein-nucleic
  • B–C · 402 Ų buried · 33 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6CBD · Crystal Structure of Human Argonaute2 Bound to Three Tryptophans · 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 0.98

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