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MolNFT v2 · #136921 · protein

Crystal structure of IRAK4 in complex with compound 9

5UIQ: “Crystal structure of IRAK4 in complex with compound 9”. X-ray diffraction at 2.64, 1 ligand (8BV). MolNFT v2 #136921 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5UIQ
Type
protein
Length
1,103 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.64
Source
Homo sapiens
UniProt
Q9NWZ3
Ligands
8BV

Structure

x-ray diffraction · resolution 2.64 · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein271—Q9NWZ3
B—protein275—Q9NWZ3
C—protein283—Q9NWZ3
D—protein274—Q9NWZ3

Ligands and binding sites

  • 8BV · 2-[(propan-2-yl)oxy]benzamide · ligand · 4 copies · chains A, B, C, D

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

Compared structures

  • 5UIQ · Crystal structure of IRAK4 in complex with compound 9 · the same entry in another collection · chain D against D, 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 0.99

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