9LFU

Crystal structure of human RIP3 kinase domain complexed with LK01003

This is a non-PDB format compatible entry.

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	346	38616.8	2	UniProt (Q9Y572) Pfam (PF00069)	Homo sapiens (human)	RIP-like protein kinase 3,Receptor-interacting protein 3,RIP-3
2	C, D (A, B)	2-cyclopentyl-~{N}-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine	non-polymer		451.6	2	Chemie (A1D97)

Sequence modifications

A, B: 2 - 315 (UniProt: Q9Y572)

PDB	External Database	Details
Met -30	-	initiating methionine
Ser -29	-	expression tag
Tyr -28	-	expression tag
Tyr -27	-	expression tag
His -26	-	expression tag
His -25	-	expression tag
His -24	-	expression tag
His -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Asp -16	-	expression tag
Tyr -15	-	expression tag
Asp -14	-	expression tag
Ile -13	-	expression tag
Pro -12	-	expression tag
Thr -11	-	expression tag
Thr -10	-	expression tag
Glu -9	-	expression tag
Asn -8	-	expression tag
Leu -7	-	expression tag
Tyr -6	-	expression tag
Phe -5	-	expression tag
Gln -4	-	expression tag
Gly -3	-	expression tag
Ala -2	-	expression tag
Met -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag
Ser 3	Cys 3	engineered mutation
Ala 110	Cys 110	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	77233.5
Non-Polymers*	Number of molecules	2
	Total formula weight	903.2
All*	Total formula weight	78136.7

*Water molecules are not included.