4ARK

CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MAP KINASE KINASE 1 (MEK1) IN COMPLEX WITH A SMALL MOLECULE INHIBITOR AND ADP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1	polymer	341	37930.6	1	UniProt (Q02750) Pfam (PF00069) In PDB	HOMO SAPIENS (HUMAN)	MAP KINASE KINASE 1, MAPKK 1, MKK1, ERK ACTIVATOR KINASE 1, MAPK/ERK KINASE 1, MEK 1
2	A	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	A	2-([3R-3,4-dihydroxybutyl]oxy)-4-fluoro-6-[(2-fluoro-4-iodophenyl)amino]benzamide	non-polymer		478.2	1	Chemie (M3K)
5		water	water		18.0	48	Chemie (HOH)

Sequence modifications

A: 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	1
	Total formula weight	37930.6
Non-Polymers*	Number of molecules	3
	Total formula weight	929.7
All*	Total formula weight	38860.3

*Water molecules are not included.