9AXH

Crystal structure of KSR1/MEK1 complex heterotetramer with NST-628

This is a non-PDB format compatible entry.

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	polymer	310	34575.8	2	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	C, D (C, D)	Kinase suppressor of Ras 1	polymer	283	32458.4	2	UniProt (Q8IVT5) Pfam (PF07714)	Homo sapiens (human)
3	E, H (A, B)	N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide	non-polymer		488.5	2	Chemie (A1AHE)
4	F, I, K, O (A, B, C, D)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	4	Chemie (ANP)
5	G, J, L, P (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
6	M (C)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
7	N, Q (C, D)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
8	R, S, T, U (A, B, C, D)	water	water		18.0	10	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Gly 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

C, D: 601 - 882 (UniProt: Q8IVT5)

PDB	External Database	Details
Gly 600	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	134068.4
Non-Polymers*	Number of molecules	13
	Total formula weight	3231.9
All*	Total formula weight	137300.3

*Water molecules are not included.