9LFV

Crystal structure of mouse RIP3 kinase domain complexed with LK01004

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, C, D (A, B, C, D)	Receptor-interacting serine/threonine-protein kinase 3	polymer	325	36213.3	4	UniProt (Q9QZL0) Pfam (PF00069)	Mus musculus (house mouse)	RIP-like protein kinase 3,Receptor-interacting protein 3,RIP-3,mRIP3
2	E (A)	3-[2-[(2~{S})-butan-2-yl]-1,3-benzothiazol-5-yl]-1-~{tert}-butyl-pyrazolo[3,4-d]pyrimidin-4-amine	non-polymer		380.5	1	Chemie (A1EJO)
3	F, G, H, I (A, B, C, D)	3-[2-[(2~{R})-butan-2-yl]-1,3-benzothiazol-5-yl]-1-~{tert}-butyl-pyrazolo[3,4-d]pyrimidin-4-amine	non-polymer		380.5	4	Chemie (A1EJP)
4	J, K, L (A, B, D)	water	water		18.0	14	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 309 (UniProt: Q9QZL0)

PDB	External Database	Details
Ala 111	Cys 111	conflict
Asp 136	Asn 136	conflict
Lys 194	Asp 198	conflict
Leu 310	-	expression tag
Glu 311	-	expression tag
His 312	-	expression tag
His 313	-	expression tag
His 314	-	expression tag
His 315	-	expression tag
His 316	-	expression tag
His 317	-	expression tag
His 318	-	expression tag
His 319	-	expression tag
His 320	-	expression tag
His 321	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	144853.3
Non-Polymers*	Number of molecules	5
	Total formula weight	1902.5
All*	Total formula weight	146755.9

*Water molecules are not included.