8EFJ

A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds

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 14	polymer	367	42238.1	1	UniProt (P47811) Pfam (PF00069) In PDB	Mus musculus (house mouse)	MAP kinase 14,MAPK 14,CRK1,Mitogen-activated protein kinase p38 alpha,MAP kinase p38 alpha
2	A	octyl beta-D-glucopyranoside	non-polymer		292.4	2	Chemie (BOG)
3	A	(4P)-4-[5-(2-chloro-6-fluoroanilino)-6-(methoxymethyl)-1H-indazol-1-yl]-N-methylthiophene-2-carboxamide	non-polymer		444.9	1	Chemie (WHQ)
4		water	water		18.0	200	Chemie (HOH)

Sequence modifications

A: 2 - 360 (UniProt: P47811)

PDB	External Database	Details
Met -6	-	initiating methionine
Ala -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42238.1
Non-Polymers*	Number of molecules	3
	Total formula weight	1029.6
All*	Total formula weight	43267.8

*Water molecules are not included.