8F7P

BRAF kinase in complex with LXH254 (naporafenib)

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	32014.7	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, B	N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide	non-polymer		502.5	2	Chemie (K81)
3		water	water		18.0	23	Chemie (HOH)

Sequence modifications

A, B: 441 - 723 (UniProt: P15056)

PDB	External Database	Details
Gly 441	Leu 441	conflict
Gly 443	Arg 443	conflict
Ala 446	Ser 446	conflict
Ala 447	Ser 447	conflict
Ala 543	Ile 543	conflict
Ser 544	Ile 544	conflict
Lys 551	Ile 551	conflict
Arg 562	Gln 562	conflict
Asn 588	Leu 588	conflict
Ser 630	Lys 630	conflict
Glu 667	Phe 667	conflict
Ser 673	Tyr 673	conflict
Arg 688	Ala 688	conflict
Ser 706	Leu 706	conflict
Arg 709	Gln 709	variant
Glu 713	Ser 713	conflict
Glu 716	Leu 716	conflict
Glu 720	Ser 720	conflict
Ser 722	Pro 722	conflict
Gly 723	Lys 723	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	64029.4
Non-Polymers*	Number of molecules	2
	Total formula weight	1005.0
All*	Total formula weight	65034.3

*Water molecules are not included.