6CAD

Crystal structure of RAF kinase domain bound to the inhibitor 2a

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	284	32249.9	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)	1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine	non-polymer		472.5	2	Chemie (EU4)
3	E, F (A, B)	water	water		18.0	3	Chemie (HOH)

Sequence modifications

A, B: 444 - 723 (UniProt: P15056)

PDB	External Database	Details
Gly 440	-	expression tag
Ala 441	-	expression tag
Met 442	-	expression tag
Asp 443	-	expression tag
Ala 543	Ile 543	engineered mutation
Ser 544	Ile 544	engineered mutation
Lys 551	Ile 551	engineered mutation
Arg 562	Gln 562	engineered mutation
Asn 588	Leu 588	engineered mutation
Ser 630	Lys 630	engineered mutation
Glu 667	Phe 667	engineered mutation
Ser 673	Tyr 673	engineered mutation
Arg 688	Ala 688	engineered mutation
Ser 706	Leu 706	engineered mutation
Arg 709	Gln 709	engineered mutation
Glu 713	Ser 713	engineered mutation
Glu 716	Leu 716	engineered mutation
Glu 720	Ser 720	engineered mutation
Ser 722	Pro 722	engineered mutation
Gly 723	Lys 723	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	64499.9
Non-Polymers*	Number of molecules	2
	Total formula weight	944.9
All*	Total formula weight	65444.8

*Water molecules are not included.