9RTR

Crystal structure of BRAF:MEK1 complex with asymmetric dimer interface bound to AMPPNP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (D, A)	Dual specificity mitogen-activated protein kinase kinase 1	polymer	358	39831.8	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	B, D (C, B)	Serine/threonine-protein kinase B-raf	polymer	282	32114.7	2	UniProt (P15056) Pfam (PF07714)	Homo sapiens (human)	Proto-oncogene B-Raf,p94,v-Raf murine sarcoma viral oncogene homolog B1
3	E, G, I (D, A, B)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	3	Chemie (ANP)
4	F, H, J, K (D, A, B)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG) PubChem (888)
5	L, M, N, O (D, C, A, B)	water	water		18.0	59	Chemie (HOH)

Sequence modifications

D, A: 37 - 393 (UniProt: Q02750)

PDB	External Database	Details
Ser 36	-	expression tag

C, B: 445 - 721 (UniProt: P15056)

PDB	External Database	Details
Ser 442	-	expression tag
Asn 443	-	expression tag
Ala 444	-	expression tag
Ala 543	Ile 543	engineered mutation
Ser 544	Ile 544	engineered mutation
Lys 551	Ile 551	engineered mutation
Arg 562	Gln 562	engineered mutation
Asn 588	Leu 588	engineered mutation
Glu 600	Val 600	engineered mutation
Ser 630	Lys 630	engineered mutation
Arg 688	Ala 688	engineered mutation
Ser 706	Leu 706	engineered mutation
Arg 709	Gln 709	engineered mutation
Glu 713	Ser 713	engineered mutation
Glu 716	Leu 716	engineered mutation
Glu 720	Ser 720	engineered mutation
Ser 722	-	expression tag
Gly 723	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	143893.0
Non-Polymers*	Number of molecules	7
	Total formula weight	1615.8
All*	Total formula weight	145508.8

*Water molecules are not included.