5KE0

Discovery of 1-1H-Pyrazolo 4,3-c pyridine-6-yl urea Inhibitors of Extracellular Signal Regulated Kinase ERK for the Treatment of Cancers

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 1	polymer	366	42361.7	1	UniProt (P63086) Pfam (PF00069) In PDB	Rattus norvegicus (Rat)	MAPK 1,ERT1,Extracellular signal-regulated kinase 2,ERK-2,MAP kinase isoform p42,p42-MAPK,Mitogen-activated protein kinase 2,MAPK 2
2	A	1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea	non-polymer		358.4	1	Chemie (6S9)
3	A	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
4		water	water		18.0	269	Chemie (HOH)

Sequence modifications

A: 1 - 358 (UniProt: P63086)

PDB	External Database	Details
Met -7	-	initiating methionine
Ala -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42361.7
Non-Polymers*	Number of molecules	6
	Total formula weight	838.7
All*	Total formula weight	43200.4

*Water molecules are not included.