Structure of PDB 6f3i Chain A

Receptor sequence
>6f3iA (length=260) Species: 9606 (Homo sapiens) [Search protein sequence]
FHSFSFYELKNVTNNFDERGNKMGEVVYKGYVTTVAVKKLLKQQFDQEIK
VMAKCQHENLVELLGFSCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKI
AQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARAVMTSRI
VGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLD
IKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIK
KVQQLLQEMT
3D structure
PDB6f3i Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
ChainA
Resolution2.14 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) D120 K122 A124 N125 D138 T153
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 CKN A M192 A211 Y262 Y264 M265 D272 L277 L318 S328 D329 M23 A36 Y71 Y73 M74 D81 L86 L127 S137 D138 PDBbind-CN: -logKd/Ki=7.68,IC50=0.021uM
BindingDB: IC50=21nM
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:6f3i, PDBe:6f3i, PDBj:6f3i
PDBsum6f3i
PubMed29398441
UniProtQ9NWZ3|IRAK4_HUMAN Interleukin-1 receptor-associated kinase 4 (Gene Name=IRAK4)

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