3VVH

X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in complex with an inhibitor and MgATP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C (A, B, C)	Dual specificity mitogen-activated protein kinase kinase 1	polymer	341	37930.6	3	UniProt (Q02750) Pfam (PF00069)	Homo sapiens (human)	MAP kinase kinase 1, MAPKK 1, MKK1, ERK activator kinase 1, MAPK/ERK kinase 1, MEK 1
2	D, G, J (A, B, C)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
3	E, H, K (A, B, C)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	3	Chemie (ATP)
4	F, I, L (A, B, C)	N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide	non-polymer		482.2	3	Chemie (4BM)
5	M, N, O (A, B, C)	water	water		18.0	230	Chemie (HOH)

Sequence modifications

A, B, C: 62 - 393 (UniProt: Q02750)

PDB	External Database	Details
Met 61	-	expression tag
Leu 394	-	expression tag
Glu 395	-	expression tag
His 396	-	expression tag
His 397	-	expression tag
His 398	-	expression tag
His 399	-	expression tag
His 400	-	expression tag
His 401	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	113791.8
Non-Polymers*	Number of molecules	9
	Total formula weight	3041.0
All*	Total formula weight	116832.9

*Water molecules are not included.