Structure of PDB 6vql Chain A

Receptor sequence
>6vqlA (length=289) Species: 9606 (Homo sapiens) [Search protein sequence]
DTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVA
VKKLAADITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYV
YMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIK
SANILLDEAFTAKISDFGLARASVMTSRIVGTTAYMAPEALRGEITPKSD
IYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMN
DADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMT
3D structure
PDB6vql Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis.
ChainA
Resolution2.069 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) D148 K150 A152 N153 D166 T182
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 R7S A I185 M192 V200 A211 V246 Y262 V263 Y264 M265 P266 G268 R273 L318 I24 M31 V39 A50 V83 Y99 V100 Y101 M102 P103 G105 R110 L155 MOAD: ic50=2.4nM
BindingDB: IC50=810nM
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:6vql, PDBe:6vql, PDBj:6vql
PDBsum6vql
PubMed32676146
UniProtQ9NWZ3|IRAK4_HUMAN Interleukin-1 receptor-associated kinase 4 (Gene Name=IRAK4)

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