3Q4C

Crystal Structure of Wild Type BRAF kinase domain in complex with organometallic inhibitor CNS292

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Serine/threonine-protein kinase B-raf	polymer	307	35217.6	2	UniProt (P15056) Pfam (PF07714) In PDB	Homo sapiens (human)	Proto-oncogene B-Raf, p94, v-Raf murine sarcoma viral oncogene homolog B1
2	A	[(1,2,3,4,5,6-eta)-(1S,2R,3R,4R,5S,6S)-1-carboxycyclohexane-1,2,3,4,5,6-hexayl](chloro)(3-methyl-5,7-dioxo-6,7-dihydro-5H-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~N~1~,N~12~)ruthenium(1+)	non-polymer		558.9	1	Chemie (RSW)

Sequence modifications

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

PDB	External Database	Details
Met 419	-	expression tag
Asp 420	-	expression tag
Arg 421	-	expression tag
Gly 422	-	expression tag
Ser 423	-	expression tag
His 424	-	expression tag
His 425	-	expression tag
His 426	-	expression tag
His 427	-	expression tag
His 428	-	expression tag
His 429	-	expression tag
Gly 430	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	70435.3
Non-Polymers*	Number of molecules	1
	Total formula weight	558.9
All*	Total formula weight	70994.2

*Water molecules are not included.