9IX2

Crystal structure of the mouse RIP3 kinase domain in complexed with TAK-632

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Receptor-interacting serine/threonine-protein kinase 3	polymer	325	36213.3	2	UniProt (Q9QZL0) Pfam (PF00069)	Mus musculus (house mouse)	RIP-like protein kinase 3,Receptor-interacting protein 3,RIP-3,mRIP3
2	C (A)	N-{7-cyano-6-[4-fluoro-3-({[3-(trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-benzothiazol-2-yl}cyclopropanecarboxamide	non-polymer		554.5	1	Chemie (1SU)
3	D, E (A, B)	water	water		18.0	10	Chemie (HOH)

Sequence modifications

A, B: 1 - 313 (UniProt: Q9QZL0)

PDB	External Database	Details
Ala 111	Cys 111	conflict
Asp 136	Asn 136	conflict
Lys 198	Asp 198	conflict
Leu 314	-	expression tag
Glu 315	-	expression tag
His 316	-	expression tag
His 317	-	expression tag
His 318	-	expression tag
His 319	-	expression tag
His 320	-	expression tag
His 321	-	expression tag
His 322	-	expression tag
His 323	-	expression tag
His 324	-	expression tag
His 325	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	72426.7
Non-Polymers*	Number of molecules	1
	Total formula weight	554.5
All*	Total formula weight	72981.2

*Water molecules are not included.