4G1W

Crystal structure of JNK1 in complex with JIP1 peptide and 7-Fluoro-3-[4-(2-hydroxy-ethanesulfonyl)-benzyl]-4-oxo-1-phenyl-1,4-dihydro-quinoline-2-carboxylic acid methyl ester

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Mitogen-activated protein kinase 8	polymer	369	42588.2	1	UniProt (A1L4K2) Pfam (PF00069) UniProt (by SIFTS) (P45983) In PDB	Homo sapiens (human)	Mitogen-activated protein kinase 8 isoform JNK1 beta2, Mitogen-activated protein kinase 8, isoform CRA_d, cDNA FLJ77387, highly similar to Homo sapiens mitogen-activated protein kinase 8 (MAPK8), transcript variant 4, mRNA
2	B	C-Jun-amino-terminal kinase-interacting protein 1	polymer	11	1345.6	1	UniProt (Q9UQF2) In PDB	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	A	methyl 7-fluoro-3-{4-[(2-hydroxyethyl)sulfonyl]benzyl}-4-oxo-1-phenyl-1,4-dihydroquinoline-2-carboxylate	non-polymer		495.5	1	Chemie (G1W)
4		water	water		18.0	43	Chemie (HOH)

Sequence modifications

A: 1 - 363 (UniProt: A1L4K2)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	43933.8
Non-Polymers*	Number of molecules	1
	Total formula weight	495.5
All*	Total formula weight	44429.3

*Water molecules are not included.