9S2M

Ternary structure of 14-3-3s, CRAF S257L NS mutant phosphopeptide (pS259), and compound 23 (1083848)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (B, K)	14-3-3 protein sigma	polymer	236	26542.9	2	UniProt (P31947) Pfam (PF00244)	Homo sapiens (human)	Epithelial cell marker protein 1,Stratifin
2	B, D (H, S)	RAF proto-oncogene serine/threonine-protein kinase	polymer	11	1365.5	2	UniProt (P04049)	Homo sapiens	Proto-oncogene c-RAF,cRaf,Raf-1
3	E, J (B, K)	2-chloranyl-~{N}-[[1-(4-iodophenyl)sulfonylpiperidin-4-yl]methyl]ethanamide	non-polymer		456.7	2	Chemie (WQI) PubChem (176404537)
4	F, G, H, L, M (B, K)	MAGNESIUM ION	non-polymer		24.3	5	Chemie (MG) PubChem (888)
5	I, K (B, K)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL) PubChem (312)
6	N, O, P, Q (B, H, K, S)	water	water		18.0	328	Chemie (HOH)

Sequence modifications

B, K: 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

H, S: 255 - 265 (UniProt: P04049)

PDB	External Database	Details
Leu 257	Ser 257	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	55816.7
Non-Polymers*	Number of molecules	9
	Total formula weight	1105.9
All*	Total formula weight	56922.6

*Water molecules are not included.