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MolNFT v2 · #148472 · protein

IRAK4 in complex with Ponatinib

6EG9: “IRAK4 in complex with Ponatinib”. X-ray diffraction at 2.414, 3 ligands (0LI, CO, SO4). MolNFT v2 #148472 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6EG9
Type
protein
Length
550 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.414
Source
Homo sapiens
UniProt
Q9NWZ3
Ligands
0LI, CO, SO4

Structure

x-ray diffraction · resolution 2.414 · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein276—Q9NWZ3
B—protein274—Q9NWZ3

Ligands and binding sites

  • 0LI · 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl) phenyl}benzamide · ligand · 2 copies · chains A, B
  • CO · Cobalt (II) ion · metal · 4 copies · chains A, B
  • SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Compared structures

  • 6EG9 · IRAK4 in complex with ponatinib · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9NWZ3 · AlphaFold monomer V2.0 prediction for interleukin-1 receptor- associated kinase 4 (Q9NWZ3) · a predicted model of the same protein · chain B against A, TM-score 0.95

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