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Crystal structure of human rig-I ctd bound to a 14-bp blunt-ended dsrna

Analyse Crystal structure of human rig-I ctd bound to a 14-bp blunt-ended dsrna in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3OG8
Type
protein + RNA
Length
282 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATP-dependent RNA helicase DDX58; RNA (5'-R(*GP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3')
EC
3.6.4.13
UniProt
O95786
Ligands
ZN
Pockets
3 · best druggability 0.80

Structure

x-ray diffraction · 3 distinct chains · 16% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AATP-dependent RNA helicase DDX58 (EC 3.6.4.13)protein12616% helix, 42% strandO95786
BATP-dependent RNA helicase DDX58 (EC 3.6.4.13)protein12816% helix, 43% strandO95786
C, DRNA (5'-R(*GP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3')rna14——

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110700.800.8260empty
2620.400.8017empty
3660.370.7817empty

Interfaces

5 interfaces between chains.

  • C–D · 699 Ų buried · 71 hydrogen bonds · nucleic-nucleic
  • B–D · 384 Ų buried · 3 hydrogen bonds · protein-nucleic
  • A–C · 371 Ų buried · 6 hydrogen bonds · protein-nucleic
  • A–D · 323 Ų buried · 2 hydrogen bonds · protein-nucleic
  • B–C · 276 Ų buried · 4 hydrogen bonds · protein-nucleic

Compared structures

  • 3OG8 · Crystal structure of human RIG-I CTD bound to a 14-bp blunt-ended dsRNA · the same entry in another collection · chain A against A, TM-score 1.00
  • O95786 · AlphaFold monomer V2.0 prediction for antiviral innate immune response receptor rig-I… · a predicted model of the same protein · chain A against A, TM-score 0.95

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