8BR7

Discovery of IRAK4 Inhibitors BAY1834845 and BAY1830839

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	AAA, BBB	Interleukin-1 receptor-associated kinase 4	polymer	298	33286.6	2	UniProt (Q9NWZ3) Pfam (PF07714) In PDB	Homo sapiens (human)	IRAK-4,Renal carcinoma antigen NY-REN-64
2	AAA, BBB	3-nitro-~{N}-[2-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]indazol-5-yl]benzamide	non-polymer		512.5	2	Chemie (R6R)
3		water	water		18.0	41	Chemie (HOH)

Sequence modifications

AAA, BBB: 165 - 460 (UniProt: Q9NWZ3)

PDB	External Database	Details
Gly 163	-	expression tag
Ser 164	-	expression tag
Ala 400	Lys 400	engineered mutation
Ala 401	Glu 401	engineered mutation
Ala 402	Glu 402	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	66573.2
Non-Polymers*	Number of molecules	2
	Total formula weight	1025.0
All*	Total formula weight	67598.2

*Water molecules are not included.