6UYA

Crystal structure of Compound 19 bound to IRAK4

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Interleukin-1 receptor-associated kinase 4	polymer	320	36170.5	4	UniProt (Q9NWZ3) Pfam (PF07714)	Homo sapiens (Human)	IRAK-4,Renal carcinoma antigen NY-REN-64
2	E, G, H, I (A, B, C, D)	N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide	non-polymer		482.5	4	Chemie (QL7)
3	F (B)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
4	J, K, L, M (A, B, C, D)	water	water		18.0	887	Chemie (HOH)

Sequence modifications

A, B, C, D: 160 - 460 (UniProt: Q9NWZ3)

PDB	External Database	Details
Met 144	-	initiating methionine
His 145	-	expression tag
His 146	-	expression tag
His 147	-	expression tag
His 148	-	expression tag
His 149	-	expression tag
His 150	-	expression tag
Gly 151	-	expression tag
Glu 152	-	expression tag
Asn 153	-	expression tag
Leu 154	-	expression tag
Tyr 155	-	expression tag
Phe 156	-	expression tag
Gln 157	-	expression tag
Gly 158	-	expression tag
Ser 159	-	expression tag
Gly 461	-	expression tag
Asn 462	-	expression tag
Ser 463	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	144682.1
Non-Polymers*	Number of molecules	5
	Total formula weight	2026.1
All*	Total formula weight	146708.2

*Water molecules are not included.