6V34

Crystal structure of BRAF V600E oncogenic mutant in complex with TAK-580

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	283	32044.7	2	UniProt (A0A2R8Y8E0) Pfam (PF07714) UniProt (by SIFTS) (P15056) In PDB	Homo sapiens (Human)
2	A, B	6-amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide	non-polymer		506.3	2	Chemie (QOP)

Sequence modifications

A, B: 448 - 721 (UniProt: A0A2R8Y8E0)

PDB	External Database	Details
Gly 441	-	expression tag
Gly 442	-	expression tag
Gly 443	-	expression tag
Arg 444	-	expression tag
Asp 445	-	expression tag
Ala 446	-	expression tag
Ala 447	-	expression tag
Ala 543	Ile 583	engineered mutation
Ser 544	Ile 584	engineered mutation
Lys 551	Ile 591	engineered mutation
Arg 562	Gln 602	engineered mutation
Asn 588	Leu 628	engineered mutation
Glu 600	Val 640	engineered mutation
Ser 630	Lys 670	engineered mutation
Glu 667	Phe 707	engineered mutation
Ser 673	Tyr 713	engineered mutation
Arg 688	Ala 728	engineered mutation
Ser 706	Leu 746	engineered mutation
Arg 709	Gln 749	engineered mutation
Glu 713	Ser 753	engineered mutation
Glu 716	Leu 756	engineered mutation
Glu 720	Ser 760	engineered mutation
Ser 722	-	expression tag
Gly 723	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	64089.3
Non-Polymers*	Number of molecules	2
	Total formula weight	1012.6
All*	Total formula weight	65101.9

*Water molecules are not included.