› 4y73

X-ray diffraction
2.14Å resolution

Crystal structure of IRAK4 kinase domain with inhibitor

Released:
DOI: 10.2210/pdb4y73/pdb
PDB entry 4y73 coloured by chain, front view.
PDB entry 4y73 coloured by chain, side view.
PDB entry 4y73 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of 5-Amino-N-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Inhibitors of IRAK4.
Lim J, Altman MD, Baker J, Brubaker JD, Chen H, Chen Y, Fischmann T, Gibeau C, Kleinschek MA, Leccese E, Lesburg C, Maclean JK, Moy LY, Mulrooney EF, Presland J, Rakhilina L, Smith GF, Steinhuebel D, Yang R
ACS Med Chem Lett 6 683-8 (2015)
PMID: 26101574

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192669 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Interleukin-1 receptor-associated kinase 4 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 302 amino acids
Theoretical weight: 34.01 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: Q9NWZ3 (Residues: 160-460; Coverage: 65%)
Gene name: IRAK4
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand XPY 4 x XPY
2 modified residues:
Ligand TPO 8 x TPO
Ligand SEP 4 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: C2
Unit cell:
a: 142.86Å b: 138.75Å c: 88.02Å
α: 90° β: 124.59° γ: 90°
R-values:
R R work R free
0.196 0.195 0.218
Expression system: unidentified baculovirus

Quick links

Citations

3 review citations

Functional Pyrazolo[1,5-a]pyrimidines: Current Approaches in Synthetic Transformations and Uses As an Antitumor Scaffold.
Arias-Gómez et al. (2021)
2 more

1 mention without citation

Recent Progress in the Molecular Recognition and Therapeutic Importance of Interleukin-1 Receptor-Associated Kinase 4.
Patra et al. (2016)