9SA9

14-3-3sigma protein binding to macrocycle 2

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	14-3-3 protein sigma	polymer	236	26542.9	1	UniProt (P31947) Pfam (PF00244)	Homo sapiens (human)	Epithelial cell marker protein 1,Stratifin
2	B (L)	14-3-3 protein sigma	polymer	236	26456.8	1	UniProt (P31947) Pfam (PF00244)	Homo sapiens (human)	Epithelial cell marker protein 1,Stratifin
3	C, D (C, D)	Macrocycle 2	polymer	7	846.8	2		synthetic construct
4	E, F, H, I, J (A, L)	CALCIUM ION	non-polymer		40.1	5	Chemie (CA)
5	G, K (A, L)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
6	L, M, N, O (A, L, C, D)	water	water		18.0	404	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

L: 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
Ala 117	Arg 117	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	54693.2
Non-Polymers*	Number of molecules	7
	Total formula weight	271.3
All*	Total formula weight	54964.5

*Water molecules are not included.