4ITI

Crystal structure of RIP1 kinase in complex with necrostatin-3 analog

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	294	33468.7	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, B	1-{(3S,3aS)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl}-2-hydroxyethanone	non-polymer		438.4	2	Chemie (1HW)

Sequence modifications

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

PDB	External Database	Details
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	66937.5
Non-Polymers*	Number of molecules	2
	Total formula weight	876.7
All*	Total formula weight	67814.2

*Water molecules are not included.