8A6F

Small molecule stabilizer (compound 8) for C-RAF and 14-3-3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	14-3-3 protein sigma	polymer	236	26542.9	1	UniProt (P31947) Pfam (PF00244) In PDB	Homo sapiens (human)	Epithelial cell marker protein 1,Stratifin
2	P	RAF proto-oncogene serine/threonine-protein kinase	polymer	11	1206.2	1	UniProt (P04049) In PDB	Homo sapiens	Proto-oncogene c-RAF,cRaf,Raf-1
3	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	A	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	A	1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one	non-polymer		471.0	1	Chemie (O56)
6		water	water		18.0	332	Chemie (HOH)

Sequence modifications

A: 1 - 231 (UniProt: P31947)

PDB	External Database	Details
Gly -4	-	expression tag
Ala -3	-	expression tag
Met -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

P: 255 - 264 (UniProt: P04049)

PDB	External Database	Details
Nh2 265	-	amidation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	27749.1
Non-Polymers*	Number of molecules	4
	Total formula weight	555.1
All*	Total formula weight	28304.2

*Water molecules are not included.