Structure of PDB 4xs2 Chain A

Receptor sequence
>4xs2A (length=286) Species: 9606 (Homo sapiens) [Search protein sequence]
TRFHSFSFYELKNVTNNFDERPISVNKMGEGGFGVVYKGYVNNTTVAVKK
LATTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGS
LLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILL
DEAFTAKISDFGLARASETVMTSRIVGTTAYMAPEALRGEITPKSDIYSF
GVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADS
TSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTA
3D structure
PDB4xs2 Discovery and hit-to-lead optimization of 2,6-diaminopyrimidine inhibitors of interleukin-1 receptor-associated kinase 4.
ChainA
Resolution2.73 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D311 K313 A315 N316 D329 T351
Catalytic site (residue number reindexed from 1) D142 K144 A146 N147 D160 T178
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 42P A V200 A211 K213 Y262 Y264 M265 G268 S269 A315 L318 D329 V36 A47 K49 Y93 Y95 M96 G99 S100 A146 L149 D160 PDBbind-CN: -logKd/Ki=5.82,IC50=1.52uM
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation
GO:0007165 signal transduction

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Molecular Function
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Biological Process
External links
PDB RCSB:4xs2, PDBe:4xs2, PDBj:4xs2
PDBsum4xs2
PubMed25870132
UniProtQ9NWZ3|IRAK4_HUMAN Interleukin-1 receptor-associated kinase 4 (Gene Name=IRAK4)

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