8ATN

Discovery of IRAK4 Inhibitor 38

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}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide	non-polymer		464.5	2	Chemie (O06)
3		water	water		18.0	23	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	929.0
All*	Total formula weight	67502.1

*Water molecules are not included.