5C9C

CRYSTAL STRUCTURE OF BRAF(V600E) IN COMPLEX WITH LY3009120 COMPND

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Serine/threonine-protein kinase B-raf	polymer	307	35247.6	2	UniProt (P15056) Pfam (PF07714) In PDB	Homo sapiens (Human)	Proto-oncogene B-Raf,p94,v-Raf murine sarcoma viral oncogene homolog B1
2	A, B	1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea	non-polymer		424.5	2	Chemie (4Z5)
3	B	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4		water	water		18.0	135	Chemie (HOH)

Sequence modifications

A, B: 431 - 725 (UniProt: P15056)

PDB	External Database	Details
Met 419	-	initiating methionine
Asp 420	-	expression tag
Arg 421	-	expression tag
Gly 422	-	expression tag
Ser 423	-	expression tag
His 424	-	expression tag
His 425	-	expression tag
His 426	-	expression tag
His 427	-	expression tag
His 428	-	expression tag
His 429	-	expression tag
Gly 430	-	expression tag
Glu 599	Val 600	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	70495.2
Non-Polymers*	Number of molecules	3
	Total formula weight	884.5
All*	Total formula weight	71379.7

*Water molecules are not included.