3O2M

Crystal Structure of JNK1-alpha1 isoform complex with a biaryl tetrazol (A-82118)

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 8	polymer	370	42874.5	2	UniProt (P45983) Pfam (PF00069) In PDB	Homo sapiens (human)	MAP kinase 8, MAPK 8, Stress-activated protein kinase JNK1, c-Jun N-terminal kinase 1, JNK-46, Stress-activated protein kinase 1
2	F, G	C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE	polymer	10	1188.4	2	UniProt (Q9WVI9) In PDB	Mus musculus	JNK-interacting protein 1, JIP-1, JNK MAP kinase scaffold protein 1
3	A, B	N-butyl-4,6-dimethyl-N-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}pyrimidin-2-amine	non-polymer		413.5	2	Chemie (46A)
4	A, B	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)

Sequence modifications

A, B: 1 - 364 (UniProt: P45983)

PDB	External Database	Details
Glu 183	Thr 183	engineered mutation
Glu 185	Tyr 185	engineered mutation
Ile 208	Leu 208	variant
Ala 247	Glu 247	SEE REMARK 999
Asn 258	Thr 258	SEE REMARK 999
His 365	-	expression tag
His 366	-	expression tag
His 367	-	expression tag
His 368	-	expression tag
His 369	-	expression tag
His 370	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	88125.9
Non-Polymers*	Number of molecules	6
	Total formula weight	1211.3
All*	Total formula weight	89337.2

*Water molecules are not included.