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The IRAK3 pseudokinase domain bound to atpgammas

Analyse The IRAK3 pseudokinase domain bound to atpgammas in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6ZIW
Type
protein
Length
267 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Interleukin-1 receptor-associated kinase 3
EC
2.7.11.1
UniProt
Q9Y616
Ligands
AGS, SO4
Pockets
1 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
IInterleukin-1 receptor-associated kinase 3 (EC 2.7.11.1)protein26747% helix, 16% strandQ9Y616

Ligands and binding sites

  • AGS · Phosphothiophosphoric acid-adenylate ester · ligand · chains I
  • SO4 · Sulfate ion · ion · 2 copies · chains I

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
13290.610.7834AGS

Compared structures

  • 6ZIW · The IRAK3 Pseudokinase Domain Bound To ATPgammaS · the same entry in another collection · chain I against I, TM-score 1.00
  • Q9Y616 · AlphaFold monomer V2.0 prediction for interleukin-1 receptor- associated kinase 3 (Q9Y616) · a predicted model of the same protein · chain I against A, TM-score 0.99

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