4CQE

B-Raf Kinase V600E mutant in complex with a diarylthiazole B-Raf Inhibitor

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)	SLC45A3-BRAF FUSION PROTEIN	polymer	278	31613.2	2	UniProt (D7PBN4) Pfam (PF07714) UniProt (by SIFTS) (P15056)	HOMO SAPIENS (HUMAN)	SERINE THREONINE-PROTEIN KINASE B-RAF
2	C, D (A, B)	N-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide	non-polymer		627.7	2	Chemie (CQE)
3	E, F (A, B)	water	water		18.0	63	Chemie (HOH)

Sequence modifications

A, B: 448 - 723 (UniProt: D7PBN4)

PDB	External Database	Details
Gly 446	-	expression tag
Pro 447	-	expression tag
Ala 543	Ile 106	engineered mutation
Ser 544	Ile 107	engineered mutation
Lys 551	Ile 114	engineered mutation
Arg 562	Gln 125	engineered mutation
Asn 588	Leu 151	engineered mutation
Glu 600	Val 163	engineered mutation
Ser 630	Lys 193	engineered mutation
Glu 667	Phe 230	engineered mutation
Ser 673	Tyr 236	engineered mutation
Arg 688	Ala 251	engineered mutation
Ser 706	Leu 269	engineered mutation
Arg 709	Gln 272	engineered mutation
Glu 713	Ser 276	engineered mutation
Glu 716	Leu 279	engineered mutation
Glu 720	Ser 283	engineered mutation
Ser 722	Pro 285	engineered mutation
Gly 723	Lys 286	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	63226.5
Non-Polymers*	Number of molecules	2
	Total formula weight	1255.4
All*	Total formula weight	64481.9

*Water molecules are not included.