Structure of PDB 8dks Chain B

Receptor sequence

>8dksB (length=278) Species: 9606 (Homo sapiens) [Search protein sequence]

RFHSFSFYELKNVTNNFDERPIGGNKMGEGGFGVVYKGYVNNTTVAVKKL
LKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLS
CLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTA
KISDFGLARASEVMSRIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEII
TGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYS
VASQCLHEKKNKRPDIKKVQQLLQEMTA

3D structure

PDB

8dks Bicyclic pyrimidine compounds as potent IRAK4 inhibitors.

Chain

Resolution

2.45 Å

3D
structure

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Enzymatic activity

Enzyme Commision number

2.7.11.1: non-specific serine/threonine protein kinase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	SO9	B	M192 A211 Y262 Y264 M265 P266 G268 R273 T280 A315 L318	M27 A46 Y87 Y89 M90 P91 G93 R98 T105 A140 L143

Gene Ontology

	Molecular Function
GO:0000287	magnesium ion binding
GO:0004672	protein kinase activity
GO:0004674	protein serine/threonine kinase activity
GO:0005149	interleukin-1 receptor binding
GO:0005515	protein binding
GO:0005524	ATP binding
GO:0016301	kinase activity
GO:0019901	protein kinase binding
GO:0044024	histone H2AS1 kinase activity
GO:0106310	protein serine kinase activity

	Biological Process
GO:0002224	toll-like receptor signaling pathway
GO:0002446	neutrophil mediated immunity
GO:0002755	MyD88-dependent toll-like receptor signaling pathway
GO:0006338	chromatin remodeling
GO:0006468	protein phosphorylation
GO:0007165	signal transduction
GO:0007254	JNK cascade
GO:0008063	Toll signaling pathway
GO:0016310	phosphorylation
GO:0019221	cytokine-mediated signaling pathway
GO:0031349	positive regulation of defense response
GO:0034142	toll-like receptor 4 signaling pathway
GO:0034162	toll-like receptor 9 signaling pathway
GO:0035556	intracellular signal transduction
GO:0038172	interleukin-33-mediated signaling pathway
GO:0043123	positive regulation of canonical NF-kappaB signal transduction
GO:0045087	innate immune response
GO:0048661	positive regulation of smooth muscle cell proliferation
GO:0070498	interleukin-1-mediated signaling pathway
GO:0071222	cellular response to lipopolysaccharide
GO:1990266	neutrophil migration

	Cellular Component
GO:0005615	extracellular space
GO:0005634	nucleus
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0005886	plasma membrane
GO:0009986	cell surface
GO:0010008	endosome membrane
GO:0019897	extrinsic component of plasma membrane

View graph for
Molecular Function

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Biological Process

View graph for
Cellular Component

External links

PDB	RCSB:8dks, PDBe:8dks, PDBj:8dks
PDBsum	8dks
PubMed	35863718
UniProt	Q9NWZ3\|IRAK4_HUMAN Interleukin-1 receptor-associated kinase 4 (Gene Name=IRAK4)

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