9TYG

Structure of the MAP2K MEK1 in an inactive conformation in complex with its substrate MAPK ERK2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Dual specificity mitogen-activated protein kinase kinase 1,Uncharacterized protein,Dual specificity mitogen-activated protein kinase kinase 1	polymer	405	44981.6	1	UniProt (Q02750) UniProt (A0A125YG37)	Homo sapiens (human)	MAP kinase kinase 1,MAPKK 1,MKK1,ERK activator kinase 1,MAPK/ERK kinase 1,MEK 1
2	B (B)	Mitogen-activated protein kinase 1	polymer	363	41725.0	1	UniProt (P28482)	Homo sapiens (human)	MAP kinase 1,MAPK 1,ERT1,Extracellular signal-regulated kinase 2,ERK-2,MAP kinase isoform p42,p42-MAPK,Mitogen-activated protein kinase 2,MAP kinase 2,MAPK 2
3	C, E (A, B)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (ADP)
4	D (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)

Sequence modifications

A: 1 - 2 (UniProt: Q02750)
A: 3 - 17 (UniProt: A0A125YG37)
A: 18 - 399 (UniProt: Q02750)

PDB	External Database	Details
Asp 224	Ser 218	engineered mutation
Asp 228	Ser 222	engineered mutation
Leu 400	-	expression tag
Glu 401	-	expression tag
Val 402	-	expression tag
Leu 403	-	expression tag
Phe 404	-	expression tag
Gln 405	-	expression tag

B: 1 - 360 (UniProt: P28482)

PDB	External Database	Details
Gln -2	-	expression tag
Gly -1	-	expression tag
Pro 0	-	expression tag
Val 185	Thr 185	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	86706.5
Non-Polymers*	Number of molecules	3
	Total formula weight	878.7
All*	Total formula weight	87585.2

*Water molecules are not included.