8C7X

Crystal structure of BRAF in complex with a hybrid compound 6

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	284	32249.9	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	1,2-ETHANEDIOL	non-polymer		62.1	17	Chemie (EDO)
3	A	BROMIDE ION	non-polymer		79.9	3	Chemie (BR)
4	A, B	~{N}-[3-[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-bis(fluoranyl)phenyl]-3-(2-cyanopropan-2-yl)benzamide	non-polymer		478.9	2	Chemie (TXV)
5		water	water		18.0	499	Chemie (HOH)

Sequence modifications

A, B: 444 - 721 (UniProt: P15056)

PDB	External Database	Details
Gly 440	-	expression tag
Ala 441	-	expression tag
Met 442	-	expression tag
Asp 443	-	expression tag
Ala 543	Ile 543	conflict
Ser 544	Ile 544	conflict
Lys 551	Ile 551	conflict
Arg 562	Gln 562	conflict
Asn 588	Leu 588	conflict
Ser 630	Lys 630	conflict
Glu 667	Phe 667	conflict
Ser 673	Tyr 673	conflict
Arg 688	Ala 688	conflict
Ser 706	Leu 706	conflict
Arg 709	Gln 709	conflict
Glu 713	Ser 713	conflict
Glu 716	Leu 716	conflict
Glu 720	Ser 720	conflict
Ser 722	-	expression tag
Gly 723	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	64499.9
Non-Polymers*	Number of molecules	22
	Total formula weight	2252.6
All*	Total formula weight	66752.5

*Water molecules are not included.