7B3M

MEK1 in complex with compound 6

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Dual specificity mitogen-activated protein kinase kinase 1,Dual specificity mitogen-activated protein kinase kinase 1	polymer	326	36558.0	2	UniProt (Q02750) Pfam (PF00069)	Homo sapiens (Human)	MKK1,ERK activator kinase 1,MAPK/ERK kinase 1,MEK 1,MKK1,ERK activator kinase 1,MAPK/ERK kinase 1,MEK 1
2	C, G (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
3	D, H (A, B)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	2	Chemie (ANP)
4	E, I (A, B)	1~{H}-indol-2-yl(pyridin-3-yl)methanone	non-polymer		222.2	2	Chemie (SU5)
5	F (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6	J, K (A, B)	water	water		18.0	153	Chemie (HOH)

Sequence modifications

A, B: 37 - 263 (UniProt: Q02750)

PDB	External Database	Details
Met 20	-	initiating methionine
Ala 21	-	expression tag
His 22	-	expression tag
His 23	-	expression tag
His 24	-	expression tag
His 25	-	expression tag
His 26	-	expression tag
His 27	-	expression tag
Ala 28	-	expression tag
Ala 29	-	expression tag
Ala 30	-	expression tag
Glu 31	-	expression tag
Asn 32	-	expression tag
Leu 33	-	expression tag
Tyr 34	-	expression tag
Phe 35	-	expression tag
Gln 36	-	expression tag

A, B: 308 - 383 (UniProt: Q02750)

PDB	External Database	Details
Gly 264	-	linker
Ser 303	-	linker
Gly 304	-	linker
Ser 305	-	linker
Gly 306	-	linker
Ser 307	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	73116.0
Non-Polymers*	Number of molecules	7
	Total formula weight	1601.5
All*	Total formula weight	74717.6

*Water molecules are not included.