Structure of PDB 5uir Chain B

Receptor sequence
>5uirB (length=276) Species: 9606 (Homo sapiens) [Search protein sequence]
RFHSFSFYELKNVTNNFDERPIGNKMGEGGFGVVYKGYVTTVAVKKLAAE
ELKQQFDQEIKVMAKCQHENLVELLGFSSDDLCLVYVYMPNGSLLDRLSC
LDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAK
ISDFGLARASTVMTSRIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEII
TGLPAVDEHREPQLLLDIKEEIEDEKTIEDYIDKKMNDADSTSVEAMYSV
ASQCLHEKKNKRPDIKKVQQLLQEMT
3D structure
PDB5uir Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
ChainB
Resolution2.64 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) D135 K137 A139 N140 D153 T170
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 8BY B G196 A211 Y262 Y264 M265 A315 L318 G30 A43 Y86 Y88 M89 A139 L142 BindingDB: IC50=72nM
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:5uir, PDBe:5uir, PDBj:5uir
PDBsum5uir
PubMed28498658
UniProtQ9NWZ3|IRAK4_HUMAN Interleukin-1 receptor-associated kinase 4 (Gene Name=IRAK4)

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