Structure of PDB 6f3e Chain A

Receptor sequence
>6f3eA (length=272) Species: 9606 (Homo sapiens) [Search protein sequence]
RFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVK
KLLKQQFDQEIKVMAKCQHENLVELLGFSLCLVYVYMPNGSLLDRLSCLD
GTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKIS
DFGLATVMTSRIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPA
VDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQC
LHEKKNKRPDIKKVQQLLQEMT
3D structure
PDB6f3e Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
ChainA
Resolution2.67 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) D133 K135 A137 N138 D151 T165
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 CJQ A V200 A211 K213 Y262 M265 D272 L277 L318 D329 V37 A48 K50 Y84 M87 D94 L99 L140 D151 PDBbind-CN: -logKd/Ki=7.15,IC50=0.070uM
BindingDB: IC50=7.5nM,Ki=7.5nM
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
View graph for
Biological Process
External links
PDB RCSB:6f3e, PDBe:6f3e, PDBj:6f3e
PDBsum6f3e
PubMed29398441
UniProtQ9NWZ3|IRAK4_HUMAN Interleukin-1 receptor-associated kinase 4 (Gene Name=IRAK4)

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