5HD7

Dissecting Therapeutic Resistance to ERK Inhibition Rat Mutant SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide

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 1	polymer	365	42288.5	1	UniProt (P63086) Pfam (PF00069)	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	B (A)	(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide	non-polymer		587.7	1	Chemie (38Z)
3	C, D, E, F, G (A)	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
4	H (A)	water	water		18.0	274	Chemie (HOH)

Sequence modifications

A: 1 - 358 (UniProt: P63086)

PDB	External Database	Details
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
Asp 167	Gly 167	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42288.5
Non-Polymers*	Number of molecules	6
	Total formula weight	1068.0
All*	Total formula weight	43356.5

*Water molecules are not included.