4XV9

B-Raf Kinase domain in complex with PLX5568

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Serine/threonine-protein kinase B-raf	polymer	292	33295.2	1	UniProt (P15056) Pfam (PF07714)	Homo sapiens (Human)	Proto-oncogene B-Raf,p94,v-Raf murine sarcoma viral oncogene homolog B1
2	B (A)	N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide	non-polymer		515.8	1	Chemie (1OO)
3	C (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
4	D (A)	water	water		18.0	251	Chemie (HOH)

Sequence modifications

A: 442 - 705 (UniProt: P15056)

PDB	External Database	Details
Met 432	-	expression tag
Lys 433	-	expression tag
Lys 434	-	expression tag
Gly 435	-	expression tag
His 436	-	expression tag
His 437	-	expression tag
His 438	-	expression tag
His 439	-	expression tag
His 440	-	expression tag
His 441	-	expression tag
Ser 443	Arg 443	engineered mutation
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	-	expression tag
Phe 707	-	expression tag
Pro 708	-	expression tag
Arg 709	-	expression tag
Ile 710	-	expression tag
Leu 711	-	expression tag
Ala 712	-	expression tag
Glu 713	-	expression tag
Ile 714	-	expression tag
Glu 715	-	expression tag
Glu 716	-	expression tag
Leu 717	-	expression tag
Ala 718	-	expression tag
Arg 719	-	expression tag
Glu 720	-	expression tag
Leu 721	-	expression tag
Ser 722	-	expression tag
Gly 723	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33295.2
Non-Polymers*	Number of molecules	2
	Total formula weight	611.9
All*	Total formula weight	33907.1

*Water molecules are not included.