8ATL

Discovery of IRAK4 Inhibitor 23

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	Interleukin-1 receptor-associated kinase 4	polymer	298	33302.6	1	UniProt (Q9NWZ3) Pfam (PF07714) In PDB	Homo sapiens (human)	IRAK-4,Renal carcinoma antigen NY-REN-64
2	BBB	Interleukin-1 receptor-associated kinase 4	polymer	298	33286.6	1	UniProt (Q9NWZ3) Pfam (PF07714) In PDB	Homo sapiens (human)	IRAK-4,Renal carcinoma antigen NY-REN-64
3	AAA, BBB	~{N}-[6-methoxy-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indazol-5-yl]-6-[(1~{R})-2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]pyridine-2-carboxamide	non-polymer		493.4	2	Chemie (O6X)
4		water	water		18.0	70	Chemie (HOH)

Sequence modifications

AAA: 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

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	66589.2
Non-Polymers*	Number of molecules	2
	Total formula weight	986.9
All*	Total formula weight	67576.0

*Water molecules are not included.