Structure of PDB 5w85 Chain A

Receptor sequence
>5w85A (length=281) Species: 9606 (Homo sapiens) [Search protein sequence]
RFHSFSFYELKNVTNNFDERPISVGGNKMGEGFGVVYKGYVNNTTVAVKK
LEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLD
RLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEA
FTAKISDFGLARASTVMTSRIVGTTAYMAPEALRGEITPKSDIYSFGVVL
LEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVE
AMYSVASQCLHEKKNKRPDIKKVQQLLQEMT
3D structure
PDB5w85 Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors.
ChainA
Resolution2.25 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) D139 K141 A143 N144 D157 T174
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 9YS A G193 V200 A211 K213 V246 Y262 V263 Y264 M265 P266 G268 D272 L318 G30 V36 A47 K49 V74 Y90 V91 Y92 M93 P94 G96 D100 L146 MOAD: ic50=10nM
PDBbind-CN: -logKd/Ki=8.00,IC50=10nM
BindingDB: IC50=10.0nM
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:5w85, PDBe:5w85, PDBj:5w85
PDBsum5w85
PubMed28947151
UniProtQ9NWZ3|IRAK4_HUMAN Interleukin-1 receptor-associated kinase 4 (Gene Name=IRAK4)

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