3PSB

Furo[2,3-c]pyridine-based Indanone Oximes as Potent and Selective B-Raf Inhibitors

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)	ethyl 3-{[1-(hydroxyamino)-2H-inden-5-yl]amino}thieno[2,3-c]pyridine-2-carboxylate	non-polymer		367.4	2	Chemie (SM6)

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	734.8
All*	Total formula weight	71170.1

*Water molecules are not included.