9MMS

Cryo-EM structure of CRAF/MEK1 complex (kinase domain, CRAF Y340D/Y341D mutant)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	RAF proto-oncogene serine/threonine-protein kinase	polymer	681	76881.6	1	UniProt (P04049) Pfam (PF02196) Pfam (PF00130) Pfam (PF00069)	Homo sapiens (human)	Proto-oncogene c-RAF,cRaf,Raf-1
2	B (B)	Dual specificity mitogen-activated protein kinase kinase 1	polymer	415	45934.5	1	UniProt (Q02750) Pfam (PF00069)	Homo sapiens (human)	MKK1,ERK activator kinase 1,MAPK/ERK kinase 1,MEK 1
3	C, E (A, B)	PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER	non-polymer		523.2	2	Chemie (AGS)
4	D, F (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	G (B)	5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide	non-polymer		456.2	1	Chemie (LCJ)

Sequence modifications

A: 1 - 648 (UniProt: P04049)

PDB	External Database	Details
Met -21	-	initiating methionine
Gly -20	-	expression tag
Ser -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Ala -10	-	expression tag
Val -9	-	expression tag
Asp -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Gly 0	-	expression tag
Arg 156	Gln 156	engineered mutation
Asp 340	Tyr 340	engineered mutation
Asp 341	Tyr 341	engineered mutation
Glu 587	Asp 587	engineered mutation
Val 649	-	expression tag
Pro 650	-	expression tag
Ala 651	-	expression tag
Trp 652	-	expression tag
Ser 653	-	expression tag
His 654	-	expression tag
Pro 655	-	expression tag
Gln 656	-	expression tag
Phe 657	-	expression tag
Glu 658	-	expression tag
Lys 659	-	expression tag

B: 1 - 393 (UniProt: Q02750)

PDB	External Database	Details
Met -21	-	expression tag
Gly -20	-	expression tag
Ser -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Ala -10	-	expression tag
Val -9	-	expression tag
Asp -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Gly 0	-	expression tag
Ala 218	Ser 218	engineered mutation
Ala 222	Ser 222	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	122816.2
Non-Polymers*	Number of molecules	5
	Total formula weight	1551.3
All*	Total formula weight	124367.5

*Water molecules are not included.