Structure of PDB 6o9d Chain A

Receptor sequence
>6o9dA (length=286) Species: 9606 (Homo sapiens) [Search protein sequence]
DTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVA
VKKLATTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGLCLVYVYMPNG
SLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANIL
LDEAFTAKISDFGLARASQTVMTSRIVGTTAYMAPEALRGEITPKSDIYS
FGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDAD
STSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMT
3D structure
PDB6o9d Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
ChainA
Resolution2.51 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) D143 K145 A147 N148 D161 T179
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 LTY A M192 V200 A211 Y262 Y264 M265 P266 G268 A315 L318 M31 V39 A50 Y94 Y96 M97 P98 G100 A147 L150 PDBbind-CN: -logKd/Ki=8.70,Ki=2nM
BindingDB: IC50=41nM,Ki=2.0nM
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

View graph for
Molecular Function

View graph for
Biological Process
External links
PDB RCSB:6o9d, PDBe:6o9d, PDBj:6o9d
PDBsum6o9d
PubMed31082230
UniProtQ9NWZ3|IRAK4_HUMAN Interleukin-1 receptor-associated kinase 4 (Gene Name=IRAK4)

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