3WIG

Human MEK1 kinase in complex with CH5126766 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, MKK1, 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)	N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide	non-polymer		471.5	1	Chemie (CHU)
5	E (A)	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
6	F, G, H, I, J (A)	CHLORIDE ION	non-polymer		35.5	5	Chemie (CL)
7	K (A)	water	water		18.0	16	Chemie (HOH)

Sequence modifications

A: 63 - 302 (UniProt: Q02750)

PDB	External Database	Details
Met 62	-	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	9
	Total formula weight	1373.5
All*	Total formula weight	35612.9

*Water molecules are not included.