3D4Q

Pyrazole-based inhibitors of B-Raf 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)	B-Raf proto-oncogene serine/threonine-protein kinase	polymer	307	35217.6	2	UniProt (P15056) Pfam (PF07714)	Homo sapiens (human)	p94, v-Raf murine sarcoma viral oncogene homolog B1
2	C, D (A, B)	(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime	non-polymer		373.5	2	Chemie (SM5)
3	E, F (A, B)	water	water		18.0	23	Chemie (HOH)

Sequence modifications

A, B: 433 - 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
Ser 432	-	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	746.9
All*	Total formula weight	71182.2

*Water molecules are not included.