3I60

Crystal structure of ERK2 bound to (S)-4-(2-(2-chlorophenylamino)-5-methylpyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide

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	380	43616.0	1	UniProt (P28482) Pfam (PF00069) In PDB	Homo sapiens (human)	Extracellular signal-regulated kinase 2, ERK-2, Mitogen-activated protein kinase 2, MAP kinase 2, MAPK 2, p42-MAPK, ERT1
2	A	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
3	A	4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide	non-polymer		447.9	1	Chemie (E86)
4		water	water		18.0	131	Chemie (HOH)

Sequence modifications

A: -1 - 358 (UniProt: P28482)

PDB	External Database	Details
Met -21	-	expression tag
Gly -20	-	expression tag
Ser -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
Gly -9	-	expression tag
Leu -8	-	expression tag
Val -7	-	expression tag
Pro -6	-	expression tag
Arg -5	-	expression tag
Gly -4	-	expression tag
Ser -3	-	expression tag
His -2	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	43616.0
Non-Polymers*	Number of molecules	4
	Total formula weight	736.1
All*	Total formula weight	44352.1

*Water molecules are not included.