8SCV

Crystal structure of IRAK4-HSA complexed with BMS-986126; 6-((5-CYANO-2-PYRIMIDINYL)AMINO)-N-((2R)-2-FLUORO-3-HYDROXHYLBUTYL)-4-(ISOPROPYLAMINO)NICOTINAMIDE

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Interleukin-1 receptor-associated kinase 4	polymer	305	34272.6	1	UniProt (Q9NWZ3) Pfam (PF07714)	Homo sapiens (human)	IRAK-4,Renal carcinoma antigen NY-REN-64
2	B (B)	Interleukin-1 receptor-associated kinase 4	polymer	305	34192.6	1	UniProt (Q9NWZ3) Pfam (PF07714)	Homo sapiens (human)	IRAK-4,Renal carcinoma antigen NY-REN-64
3	C, E (A, B)	6-[(5-cyanopyrimidin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide	non-polymer		401.4	2	Chemie (ZVG)
4	D, F (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
5	G, H (A, B)	water	water		18.0	64	Chemie (HOH)

Sequence modifications

A: 160 - 460 (UniProt: Q9NWZ3)

PDB	External Database	Details
Gly 156	-	expression tag
Ala 157	-	expression tag
Met 158	-	expression tag
Gly 159	-	expression tag

B: 160 - 460 (UniProt: Q9NWZ3)

PDB	External Database	Details
Gly 156	-	expression tag
Ala 157	-	expression tag
Met 158	-	expression tag
Gly 159	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	68465.2
Non-Polymers*	Number of molecules	4
	Total formula weight	995.0
All*	Total formula weight	69460.2

*Water molecules are not included.