5TR6

Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Tyrosine-protein kinase SYK	polymer	289	33697.8	1	UniProt (P43405) Pfam (PF07714) In PDB	Homo sapiens (Human)	Spleen tyrosine kinase,p72-Syk
2	A	6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one	non-polymer		344.4	1	Chemie (7KG)
3	A	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4		water	water		18.0	132	Chemie (HOH)

Sequence modifications

A: 356 - 635 (UniProt: P43405)

PDB	External Database	Details
Met 353	-	initiating methionine
Ala 354	-	expression tag
Leu 355	-	expression tag
His 636	-	expression tag
His 637	-	expression tag
His 638	-	expression tag
His 639	-	expression tag
His 640	-	expression tag
His 641	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33697.8
Non-Polymers*	Number of molecules	2
	Total formula weight	406.5
All*	Total formula weight	34104.3

*Water molecules are not included.