4NEU

X-ray structure of Receptor Interacting Protein 1 (RIP1)kinase domain with a 1-aminoisoquinoline inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Receptor-interacting serine/threonine-protein kinase 1	polymer	333	38209.0	2	UniProt (Q13546) Pfam (PF07714) In PDB	Homo sapiens (human)	Cell death protein RIP, Receptor-interacting protein 1, RIP-1, Serine/threonine-protein kinase RIP
2	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
3	A, B	1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea	non-polymer		401.5	2	Chemie (Q1A)
4		water	water		18.0	237	Chemie (HOH)

Sequence modifications

A, B: 1 - 324 (UniProt: Q13546)

PDB	External Database	Details
Met -8	-	expression tag
Asp -7	-	expression tag
Tyr -6	-	expression tag
Lys -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Asp -1	-	expression tag
Lys 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	76418.0
Non-Polymers*	Number of molecules	3
	Total formula weight	827.2
All*	Total formula weight	77245.3

*Water molecules are not included.