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Human ARGONAUTE2-mir-122 bound to a target RNA with four central mismatches (BU4)

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

PDB
6NIT
Type
protein + RNA
Length
1,658 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
Pockets
19 · best druggability 0.84

Structure

x-ray diffraction · 6 distinct chains · 29% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein argonaute-2 (EC 3.1.26.-)protein79830% helix, 27% strandQ9UKV8
BProtein argonaute-2 (EC 3.1.26.-)protein79329% 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*UP*U)- 3')rna17——
DRNA (5'- R(P*UP*GP*GP*AP*GP*UP*GP*UP*GP*AP*CP*AP*AP*UP*GP*GP*UP*GP*UP*UP*U)- 3')rna12——
ERNA (5'- R(P*AP*AP*CP*AP*CP*CP*AP*UP*CP*CP*AP*AP*CP*AP*CP*UP*CP*CP*AP*AP*A)- 3')rna19——
FRNA (5'- R(P*AP*AP*CP*AP*CP*CP*AP*UP*CP*CP*AP*AP*CP*AP*CP*UP*CP*CP*AP*AP*A)- 3')rna19——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111380.840.8687empty
27550.800.8443empty
38060.760.8078empty
43410.730.8551empty
51810.610.8321empty

Interfaces

7 interfaces between chains.

  • B–D · 1285 Ų buried · 41 hydrogen bonds · protein-nucleic
  • A–C · 1248 Ų buried · 37 hydrogen bonds · protein-nucleic
  • B–F · 1168 Ų buried · 13 hydrogen bonds · protein-nucleic
  • A–E · 810 Ų buried · 6 hydrogen bonds · protein-nucleic
  • C–E · 732 Ų buried · 64 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6NIT · Human Argonaute2-miR-122 bound to a target RNA with four central mismatches (bu4) · 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 0.92

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