5UIT

Crystal structure of IRAK4 in complex with compound 14

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Interleukin-1 receptor-associated kinase 4	polymer	323	36504.0	2	UniProt (Q9NWZ3) Pfam (PF07714) In PDB	Homo sapiens (Human)	IRAK-4,Renal carcinoma antigen NY-REN-64
2	A, B	1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide	non-polymer		343.4	2	Chemie (8CD)
3		water	water		18.0	454	Chemie (HOH)

Sequence modifications

A, B: 154 - 460 (UniProt: Q9NWZ3)

PDB	External Database	Details
Met 138	-	initiating methionine
His 139	-	expression tag
His 140	-	expression tag
His 141	-	expression tag
His 142	-	expression tag
His 143	-	expression tag
His 144	-	expression tag
Gly 145	-	expression tag
Gly 146	-	expression tag
Glu 147	-	expression tag
Asn 148	-	expression tag
Leu 149	-	expression tag
Tyr 150	-	expression tag
Phe 151	-	expression tag
Gln 152	-	expression tag
Gly 153	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	73008.1
Non-Polymers*	Number of molecules	2
	Total formula weight	686.8
All*	Total formula weight	73694.8

*Water molecules are not included.