3ORN

Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and MgAMP-PNP

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	polymer	307	34239.4	1	UniProt (Q02750) Pfam (PF00069)	Homo sapiens (human)	MAP kinase kinase 1, MAPKK 1, ERK activator kinase 1, MAPK/ERK kinase 1, MEK 1
2	B (A)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	1	Chemie (ANP)
3	C (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	D (A)	3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide	non-polymer		565.3	1	Chemie (3OR)
5	E (A)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
6	F, G, H, I, J... (A)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
7	L (A)	water	water		18.0	39	Chemie (HOH)

Sequence modifications

A: 62 - 302 (UniProt: Q02750)

PDB	External Database	Details
Met 61	-	expression tag

A: 303 - 393 (UniProt: Q02750)

PDB	External Database	Details
His 394	-	expression tag
His 395	-	expression tag
His 396	-	expression tag
His 397	-	expression tag
His 398	-	expression tag
His 399	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34239.4
Non-Polymers*	Number of molecules	10
	Total formula weight	1822.3
All*	Total formula weight	36061.8

*Water molecules are not included.