4MNF

Crystal structure of BRAF-V600E bound to GDC0879

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)	Serine/threonine-protein kinase B-raf	polymer	329	37290.9	2	UniProt (P15056) Pfam (PF07714)	Homo sapiens (human)	BRAF, Proto-oncogene B-Raf, p94, v-Raf murine sarcoma viral oncogene homolog B1
2	C, D (A, B)	2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol	non-polymer		334.4	2	Chemie (29L)
3	E (B)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	F, G (A, B)	water	water		18.0	80	Chemie (HOH)

Sequence modifications

A, B: 432 - 736 (UniProt: P15056)

PDB	External Database	Details
Met 408	-	expression tag
Ser 409	-	expression tag
Gly 410	-	expression tag
Ala 411	-	expression tag
His 412	-	expression tag
His 413	-	expression tag
His 414	-	expression tag
His 415	-	expression tag
His 416	-	expression tag
His 417	-	expression tag
His 418	-	expression tag
His 419	-	expression tag
Gly 420	-	expression tag
Gly 421	-	expression tag
Gly 422	-	expression tag
Gly 423	-	expression tag
Gly 424	-	expression tag
Leu 425	-	expression tag
Val 426	-	expression tag
Pro 427	-	expression tag
Arg 428	-	expression tag
Gly 429	-	expression tag
Ala 430	-	expression tag
Met 431	-	expression tag
Glu 600	Val 600	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	74581.8
Non-Polymers*	Number of molecules	3
	Total formula weight	704.2
All*	Total formula weight	75286.0

*Water molecules are not included.