3V6S

Discovery of potent and selective covalent inhibitors of JNK

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Mitogen-activated protein kinase 10	polymer	364	42059.7	2	UniProt (P53779) Pfam (PF00069) In PDB	Homo sapiens (human)	MAP kinase 10, MAPK 10, MAP kinase p49 3F12, Stress-activated protein kinase 1b, SAPK1b, Stress-activated protein kinase JNK3, c-Jun N-terminal kinase 3
2	A, B	3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide	non-polymer		495.6	2	Chemie (0F0)
3		water	water		18.0	215	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	84119.4
Non-Polymers*	Number of molecules	2
	Total formula weight	991.2
All*	Total formula weight	85110.5

*Water molecules are not included.