3IDP

B-Raf V600E kinase domain in complex with an aminoisoquinoline inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B, A	B-Raf proto-oncogene serine/threonine-protein kinase	polymer	300	34513.8	2	UniProt (P15056) Pfam (PF07714) In PDB	Homo sapiens (human)	p94, v-Raf murine sarcoma viral oncogene homolog B1
2	B, A	N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine	non-polymer		478.9	2	Chemie (L1E)
3		water	water		18.0	79	Chemie (HOH)

Sequence modifications

B, A: 434 - 727 (UniProt: P15056)

PDB	External Database	Details
His 428	-	expression tag
His 429	-	expression tag
His 430	-	expression tag
His 431	-	expression tag
His 432	-	expression tag
His 433	-	expression tag
Glu 600	Val 600	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	69027.7
Non-Polymers*	Number of molecules	2
	Total formula weight	957.9
All*	Total formula weight	69985.6

*Water molecules are not included.