8ATN

Discovery of IRAK4 Inhibitor 38

External Resource: Annotation

Domain Annotation: SCOP2 Classification
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations
Protein Modification Annotation

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A [auth AAA]	SCOP2B Superfamily	Protein kinase-like (PK-like)	8072703	3000066	SCOP2B (2022-06-29)
B [auth BBB]	SCOP2B Superfamily	Protein kinase-like (PK-like)	8072703	3000066	SCOP2B (2022-06-29)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A [auth AAA], B [auth BBB]	PF07714	Protein tyrosine and serine/threonine kinase (PK_Tyr_Ser-Thr)	Protein tyrosine and serine/threonine kinase	Protein phosphorylation, which plays a key role in most cellular activities, is a reversible process mediated by protein kinases and phosphoprotein phosphatases. Protein kinases catalyse the transfer of the gamma phosphate from nucleotide triphosph ...	Protein phosphorylation, which plays a key role in most cellular activities, is a reversible process mediated by protein kinases and phosphoprotein phosphatases. Protein kinases catalyse the transfer of the gamma phosphate from nucleotide triphosphates (often ATP) to one or more amino acid residues in a protein substrate side chain, resulting in a conformational change affecting protein function. Phosphoprotein phosphatases catalyse the reverse process. Protein kinases fall into three broad classes, characterised with respect to substrate specificity [1]; Serine/threonine-protein kinases, tyrosine-protein kinases, and dual specificity protein kinases (e.g. MEK - phosphorylates both Thr and Tyr on target proteins). This entry represents the catalytic domain found in a number of serine/threonine- and tyrosine-protein kinases. It does not include the catalytic domain of dual specificity kinases.	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A [auth AAA], B [auth BBB]	Interleukin-1 receptor-associated kinase 4	kinase activity transferase activity catalytic activity transferase activity, transferring phosphorus-containing groups catalytic activity, acting on a protein protein kinase activity protein serine kinase activity phosphotransferase activity, alcohol group as acceptor cation binding magnesium ion binding ion binding binding metal ion binding small molecule binding kinase activity transferase activity catalytic activity transferase activity, transferring phosphorus-containing groups catalytic activity, acting on a protein protein kinase activity protein serine kinase activity phosphotransferase activity, alcohol group as acceptor cation binding magnesium ion binding ion binding binding metal ion binding small molecule binding adenyl ribonucleotide binding nucleotide binding purine ribonucleotide binding purine ribonucleoside triphosphate binding nucleoside phosphate binding purine nucleotide binding organic cyclic compound binding anion binding adenyl nucleotide binding ATP binding heterocyclic compound binding carbohydrate derivative binding ribonucleotide binding protein binding interleukin-1 receptor binding signaling receptor binding cytokine receptor binding growth factor receptor binding kinase binding enzyme binding protein kinase binding protein serine/threonine kinase activity histone H2AS1 kinase activity histone modifying activity histone H2A kinase activity histone kinase activity	cellular response to stimulus positive regulation of response to biotic stimulus regulation of cellular process pattern recognition receptor signaling pathway response to stimulus response to biotic stimulus intracellular signal transduction cell communication immune response-activating signaling pathway positive regulation of immune response regulation of immune system process signal transduction positive regulation of immune system process innate immune response-activating signaling pathway cellular response to stimulus positive regulation of response to biotic stimulus regulation of cellular process pattern recognition receptor signaling pathway response to stimulus response to biotic stimulus intracellular signal transduction cell communication immune response-activating signaling pathway positive regulation of immune response regulation of immune system process signal transduction positive regulation of immune system process innate immune response-activating signaling pathway regulation of biological process immune response response to other organism regulation of innate immune response response to external stimulus regulation of response to stimulus defense response to other organism positive regulation of defense response toll-like receptor 9 signaling pathway activation of innate immune response regulation of immune response activation of immune response cytoplasmic pattern recognition receptor signaling pathway regulation of defense response regulation of response to biotic stimulus biological process involved in interspecies interaction between organisms regulation of response to external stimulus intracellular receptor signaling pathway signaling positive regulation of biological process positive regulation of response to stimulus endolysosomal toll-like receptor signaling pathway positive regulation of response to external stimulus immune response-regulating signaling pathway regulation of response to stress response to stress innate immune response response to external biotic stimulus positive regulation of innate immune response defense response biological regulation defense response to symbiont immune system process cellular process cell surface receptor signaling pathway response to cytokine cytokine-mediated signaling pathway response to peptide response to chemical cellular response to cytokine stimulus positive regulation of cell communication positive regulation of signal transduction positive regulation of canonical NF-kappaB signal transduction regulation of signal transduction regulation of intracellular signal transduction intracellular signaling cassette positive regulation of cellular process regulation of signaling positive regulation of intracellular signal transduction canonical NF-kappaB signal transduction regulation of cell communication regulation of canonical NF-kappaB signal transduction positive regulation of signaling toll-like receptor signaling pathway MyD88-dependent toll-like receptor signaling pathway immune response-regulating cell surface receptor signaling pathway cell surface toll-like receptor signaling pathway immune response-activating cell surface receptor signaling pathway innate immune response activating cell surface receptor signaling pathway cell surface pattern recognition receptor signaling pathway toll-like receptor 4 signaling pathway neutrophil mediated immunity leukocyte mediated immunity myeloid leukocyte mediated immunity immune effector process interleukin-33-mediated signaling pathway response to lipid cellular response to lipopolysaccharide response to oxygen-containing compound cellular response to molecule of bacterial origin response to lipopolysaccharide cellular response to oxygen-containing compound cellular response to biotic stimulus cellular response to chemical stimulus response to bacterium cellular response to lipid response to molecule of bacterial origin Toll signaling pathway JNK cascade MAPK cascade protein phosphorylation phosphorylation primary metabolic process macromolecule modification phosphate-containing compound metabolic process metabolic process protein metabolic process macromolecule metabolic process protein modification process phosphorus metabolic process leukocyte migration myeloid leukocyte migration cell migration neutrophil migration cell motility granulocyte migration cell population proliferation regulation of smooth muscle cell proliferation positive regulation of cell population proliferation smooth muscle cell proliferation positive regulation of smooth muscle cell proliferation regulation of cell population proliferation muscle cell proliferation cellular response to interleukin-1 interleukin-1-mediated signaling pathway response to interleukin-1	cell surface cellular anatomical structure intracellular anatomical structure cytoplasm cytosol cell periphery plasma membrane membrane endosome membrane membrane-bounded organelle endosome intracellular vesicle intracellular membrane-bounded organelle endomembrane system cell surface cellular anatomical structure intracellular anatomical structure cytoplasm cytosol cell periphery plasma membrane membrane endosome membrane membrane-bounded organelle endosome intracellular vesicle intracellular membrane-bounded organelle endomembrane system intracellular organelle cytoplasmic vesicle membrane bounding membrane of organelle vesicle membrane cytoplasmic vesicle organelle vesicle organelle membrane extrinsic component of plasma membrane extrinsic component of membrane extracellular region extracellular space nucleus

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A [auth AAA], B [auth BBB]	IPR017428	Interleukin-1 receptor-associated kinase 4	Family
A [auth AAA], B [auth BBB]	IPR000719	Protein kinase domain	Domain
A [auth AAA], B [auth BBB]	IPR001245	Serine-threonine/tyrosine-protein kinase, catalytic domain	Domain
A [auth AAA], B [auth BBB]	IPR011029	Death-like domain superfamily	Homologous Superfamily
A [auth AAA], B [auth BBB]	IPR037970	IRAK4, Death domain	Domain
A [auth AAA], B [auth BBB]	IPR011009	Protein kinase-like domain superfamily	Homologous Superfamily
A [auth AAA], B [auth BBB]	IPR050885	Immune_PlantDef_Kinases	Unknown

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A [auth AAA], B [auth BBB]	Pharos: Q9NWZ3	immunodeficiency 67 Invasive pneumococcal disease, recurrent isolated, 1 prostate cancer brain hypoxia - ischemia malignant mesothelioma systemic lupus erythematosus

Protein Modification Annotation

Modified Residue(s)
Chain	Residue(s)	Description
A [auth AAA], B [auth BBB]	SEP	Parent Component: SER RESID: AA0037 PSI-MOD : O-phospho-L-serine MOD:00046
A [auth AAA], B [auth BBB]	TPO	Parent Component: THR RESID: AA0037 , AA0038 PSI-MOD : O-phospho-L-serine MOD:00046 , O-phospho-L-threonine MOD:00047

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.