6OCQ

Crystal structure of RIP1 kinase in complex with a pyrrolidine

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 1	polymer	303	34596.9	2	UniProt (Q13546) Pfam (PF07714)	Homo sapiens (Human)	Cell death protein RIP,Receptor-interacting protein 1,RIP-1
2	C, E (A, B)	1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one	non-polymer		249.3	2	Chemie (M5J)
3	D, F (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	G, H (A, B)	water	water		18.0	4	Chemie (HOH)

Sequence modifications

A, B: 1 - 294 (UniProt: Q13546)

PDB	External Database	Details
Met -8	-	initiating methionine
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
Ala 34	Cys 34	engineered mutation
Ala 127	Cys 127	engineered mutation
Ala 233	Cys 233	engineered mutation
Ala 240	Cys 240	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	69193.8
Non-Polymers*	Number of molecules	4
	Total formula weight	690.8
All*	Total formula weight	69884.6

*Water molecules are not included.