3II5

The Complex of wild-type B-RAF with Pyrazolo pyrimidine inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	B-Raf proto-oncogene serine/threonine-protein kinase	polymer	306	35160.6	2	UniProt (P15056) Pfam (PF07714) In PDB	Homo sapiens (human)	p94, v-Raf murine sarcoma viral oncogene homolog B1
2	A, B	N-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide	non-polymer		515.5	2	Chemie (831)
3	A	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
4		water	water		18.0	21	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 420	-	expression tag
Asp 421	-	expression tag
Arg 422	-	expression tag
Gly 423	-	expression tag
Ser 424	-	expression tag
His 425	-	expression tag
His 426	-	expression tag
His 427	-	expression tag
His 428	-	expression tag
His 429	-	expression tag
His 430	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	70321.2
Non-Polymers*	Number of molecules	4
	Total formula weight	1221.0
All*	Total formula weight	71542.2

*Water molecules are not included.