4E73

Crystal structure of JNK1beta-JIP in complex with an azaquinolone inhbitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Mitogen-activated protein kinase 8	polymer	369	42588.2	1	UniProt (P45983) Pfam (PF00069)	Homo sapiens (human)	MAP kinase 8, MAPK 8, JNK-46, Stress-activated protein kinase 1c, SAPK1c, Stress-activated protein kinase JNK1, c-Jun N-terminal kinase 1
2	B (B)	C-Jun-amino-terminal kinase-interacting protein 1	polymer	11	1317.6	1	UniProt (Q9UQF2)	Homo sapiens	JIP-1, JNK-interacting protein 1, Islet-brain 1, IB-1, JNK MAP kinase scaffold protein 1, Mitogen-activated protein kinase 8-interacting protein 1
3	C (A)	methyl 3-(4-{[(1R,2S,3S,5S,7s)-5-aminotricyclo[3.3.1.1~3,7~]dec-2-yl]carbamoyl}benzyl)-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridine-2-carboxylate	non-polymer		562.7	1	Chemie (0NR)
4	D, E (A, B)	water	water		18.0	89	Chemie (HOH)

Sequence modifications

A: 1 - 363 (UniProt: P45983)

PDB	External Database	Details
His 364	-	expression tag
His 365	-	expression tag
His 366	-	expression tag
His 367	-	expression tag
His 368	-	expression tag
His 369	-	expression tag

B: 153 - 163 (UniProt: Q9UQF2)

PDB	External Database	Details
Lys 153	Arg 157	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	43905.8
Non-Polymers*	Number of molecules	1
	Total formula weight	562.7
All*	Total formula weight	44468.4

*Water molecules are not included.