9S2N

Ternary structure of 14-3-3s, CRAF V263A 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	10	1180.1	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	6	Chemie (MG) PubChem (888)
5	I, K (B, K)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL) PubChem (312)
6	O, P, Q, R (B, H, K, S)	water	water		18.0	295	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 - 264 (UniProt: P04049)

PDB	External Database	Details
Ala 263	Val 263	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	55446.1
Non-Polymers*	Number of molecules	10
	Total formula weight	1130.2
All*	Total formula weight	56576.3

*Water molecules are not included.