4PP7

Highly Potent and Selective 3-N-methylquinazoline-4(3H)-one Based Inhibitors of B-RafV600E Kinase

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	307	35217.6	2	UniProt (P15056) Pfam (PF07714)	Homo sapiens (human)	Proto-oncogene B-Raf, p94, v-Raf murine sarcoma viral oncogene homolog B1
2	C, D (A, B)	N-{2,4-difluoro-3-[methyl(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide	non-polymer		422.4	2	Chemie (2VX)

Sequence modifications

A, B: 432 - 726 (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
Gly 431	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	70435.3
Non-Polymers*	Number of molecules	2
	Total formula weight	844.9
All*	Total formula weight	71280.2

*Water molecules are not included.