6NW2

Structure of human RIPK1 kinase domain in complex with compound 11

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	310	35424.8	2	UniProt (Q13546) Pfam (PF07714) In PDB	Homo sapiens (Human)	Cell death protein RIP,Receptor-interacting protein 1,RIP-1
2	A, B	(5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide	non-polymer		354.4	2	Chemie (L4Y)
3		water	water		18.0	201	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -15	-	initiating methionine
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Gly -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Ala 34	Cys 34	conflict
Ala 127	Cys 127	conflict
Ala 233	Cys 233	conflict
Ala 240	Cys 240	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	70849.7
Non-Polymers*	Number of molecules	2
	Total formula weight	708.8
All*	Total formula weight	71558.5

*Water molecules are not included.