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Human ARGONAUTE2-mir-122 bound to a target RNA with two central mismatches (BU2)

Analyse Human ARGONAUTE2-mir-122 bound to a target RNA with two central mismatches (BU2) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6MDZ
Type
protein + RNA
Length
1,671 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein argonaute-2; RNA (5'- R(P*UP*GP*GP*AP*GP*UP*GP*UP*GP*AP*CP*AP*AP*UP*GP*GP*UP*GP*UP…
EC
3.1.26.-
UniProt
Q9UKV8
Ligands
IPH
Pockets
20 · best druggability 0.85

Structure

x-ray diffraction · 6 distinct chains · 30% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein argonaute-2 (EC 3.1.26.-)protein80430% helix, 27% strandQ9UKV8
BProtein argonaute-2 (EC 3.1.26.-)protein79630% helix, 27% strandQ9UKV8
CRNA (5'- R(P*UP*GP*GP*AP*GP*UP*GP*UP*GP*AP*CP*AP*AP*UP*GP*GP*UP*GP*UP*U)-3')rna20——
DRNA (5'- R(P*UP*GP*GP*AP*GP*UP*GP*UP*GP*AP*CP*AP*AP*UP*GP*GP*UP*GP*UP*U)-3')rna14——
ERNA (5'- R(P*AP*AP*AP*CP*AP*CP*CP*AP*UP*UP*UP*CP*CP*AP*CP*AP*CP*UP*CP*CP*AP*AP *a)-3')rna23——
FRNA (5'- R(P*AP*AP*AP*CP*AP*CP*CP*AP*UP*UP*UP*CP*CP*AP*CP*AP*CP*UP*CP*CP*AP*AP *a)-3')rna14——

Ligands and binding sites

  • IPH · Phenol · ligand · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19250.850.8778empty
211710.820.8360empty
37540.730.7973IPH
44190.700.8258empty
51450.660.8819empty

Interfaces

7 interfaces between chains.

  • A–C · 1572 Ų buried · 44 hydrogen bonds · protein-nucleic
  • B–D · 1324 Ų buried · 43 hydrogen bonds · protein-nucleic
  • A–E · 1034 Ų buried · 13 hydrogen bonds · protein-nucleic
  • B–F · 851 Ų buried · 5 hydrogen bonds · protein-nucleic
  • C–E · 831 Ų buried · 73 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6MDZ · Human Argonaute2-miR-122 bound to a target RNA with two central mismatches (bu2) · the same entry in another collection · chain F against F, TM-score 1.00
  • Q9UKV8 · AlphaFold monomer V2.0 prediction for protein argonaute-2 (Q9UKV8) · a predicted model of the same protein · chain B against A, TM-score 0.91

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