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Crystal structure of human rig-I ctd bound to a 12 bp au rich 5' ppp dsrna

Analyse Crystal structure of human rig-I ctd bound to a 12 bp au rich 5' ppp dsrna in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3LRR
Type
protein + RNA
Length
266 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable ATP-dependent RNA helicase DDX58; RNA…
EC
3.6.1.-
UniProt
O95786
Ligands
ZN
Pockets
1 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 11% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BProbable ATP-dependent RNA helicase DDX58 (EC 3.6.1.-)protein12111% helix, 45% strandO95786
C, DRNA (5'-R(*(ATP)P*UP*AP*UP*AP*UP*AP*UP*AP*UP*AP*U)-3')rna12——

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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18800.680.7543empty

Interfaces

5 interfaces between chains.

  • C–D · 545 Ų buried · 38 hydrogen bonds · nucleic-nucleic
  • B–D · 455 Ų buried · 6 hydrogen bonds · protein-nucleic
  • A–C · 438 Ų buried · 7 hydrogen bonds · protein-nucleic
  • A–D · 169 Ų buried · 1 hydrogen bond · protein-nucleic
  • B–C · 164 Ų buried · 1 hydrogen bond · protein-nucleic

Modifications

Observed in the structure: 2 modified (nucleotide modification).

Compared structures

  • 3LRR · Crystal structure of human RIG-I CTD bound to a 12 bp AU rich 5' ppp 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 B against A, TM-score 0.98

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