5NGU

Human Erk2 with an Erk1/2 inhibitor

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	381	43985.4	1	UniProt (P28482) Pfam (PF00069) In PDB	Homo sapiens (Human)	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	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
3	A	2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one	non-polymer		403.5	1	Chemie (8X2)
4		water	water		18.0	14	Chemie (HOH)

Sequence modifications

A: 1 - 360 (UniProt: P28482)

PDB	External Database	Details
Met -18	-	initiating methionine
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Gly -11	-	expression tag
Gly -10	-	expression tag
Gly -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Leu 46	Val 46	conflict
Leu 361	-	expression tag
Glu 362	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	43985.4
Non-Polymers*	Number of molecules	3
	Total formula weight	595.6
All*	Total formula weight	44581.0

*Water molecules are not included.