8BR6

Discovery of IRAK4 Inhibitor 40

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	~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)pyridine-2-carboxamide	non-polymer		434.5	2	Chemie (R6I)
3	BBB	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
4		water	water		18.0	106	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	3
	Total formula weight	928.1
All*	Total formula weight	67501.2

*Water molecules are not included.