8B4Q

Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 5

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	26553.9	1	UniProt (P31947) Pfam (PF00244) In PDB	Homo sapiens (human)	Epithelial cell marker protein 1,Stratifin
2	B	Estrogen-related receptor gamma	polymer	10	1215.4	1	UniProt (P62508) In PDB	Homo sapiens	ERR gamma-2,Estrogen receptor-related protein 3,Nuclear receptor subfamily 3 group B member 3
3	A	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
4	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5	A	3-fluoranyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide	non-polymer		241.3	1	Chemie (OYI)
6		water	water		18.0	335	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
Asn 38	Cys 38	engineered mutation

B: 174 - 182 (UniProt: P62508)

PDB	External Database	Details
Nh2 183	-	amidation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	27769.2
Non-Polymers*	Number of molecules	5
	Total formula weight	349.6
All*	Total formula weight	28118.9

*Water molecules are not included.