Structure of PDB 7c2w Chain A

Receptor sequence
>7c2wA (length=295) Species: 9606 (Homo sapiens) [Search protein sequence]
RFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVK
KLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYV
YMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIK
SANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRGE
ITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDY
IDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMT
3D structure
PDB7c2w Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies.
ChainA
Resolution3.2 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 F339 T351
Catalytic site (residue number reindexed from 1) D148 K150 A152 N153 D166 F176 T188
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 FJ9 A M192 F197 V200 A211 K213 Y262 Y264 M265 P266 G268 L318 D329 M29 F34 V37 A48 K50 Y99 Y101 M102 P103 G105 L155 D166
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:7c2w, PDBe:7c2w, PDBj:7c2w
PDBsum7c2w
PubMed33335659
UniProtQ9NWZ3|IRAK4_HUMAN Interleukin-1 receptor-associated kinase 4 (Gene Name=IRAK4)

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