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Crystal structure of the regulatory domain of human rig-I with bound zn

Analyse Crystal structure of the regulatory domain of human rig-I with bound zn in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2QFB
Type
protein
Length
1,210 residues
Chains
10
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable ATP-dependent RNA helicase DDX58
EC
3.6.1.-
UniProt
O95786
Ligands
ZN
Pockets
19 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, JProbable ATP-dependent RNA helicase DDX58 (EC 3.6.1.-)protein12112% helix, 42% strandO95786

Ligands and binding sites

  • ZN · Zinc ion · metal · 10 copies · chains A, B, C, D, E, F, G, H, I, J

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

Pockets

19 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18570.820.8473empty
26710.700.7746empty
37630.690.7671empty
43220.590.7725empty
52720.550.7633empty

Interfaces

11 interfaces between chains.

  • C–E · 538 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 457 Ų buried · 7 hydrogen bonds · protein-protein
  • G–J · 349 Ų buried · 6 hydrogen bonds · protein-protein
  • A–E · 332 Ų buried · 4 hydrogen bonds · protein-protein
  • B–D · 325 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 2QFB · Crystal structure of the regulatory domain of human RIG-I with bound Zn · the same entry in another collection · chain J against J, 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 G against A, TM-score 0.97

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