6KU2

The structure of EanB/Y353A complex with ergothioneine covalent linked with persulfide Cys412

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, E	Sulfurtransferase	polymer	460	52142.0	2	UniProt (B3ECE3) Pfam (PF00581) In PDB	Chlorobium limicola
2	A, E	[(2S)-3-[(2S)-2-(disulfanyl)-2,3-dihydro-1H-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium	non-polymer		264.4	2	Chemie (DV6)
3	A, E	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	A, E	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
5	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6	A, E	IMIDAZOLE	non-polymer		69.1	2	Chemie (IMD)
7	A, E	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
8	A, E	BROMIDE ION	non-polymer		79.9	2	Chemie (BR)
9	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
10	E	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
11		water	water		18.0	308	Chemie (HOH)

Sequence modifications

A, E: 2 - 457 (UniProt: B3ECE3)

PDB	External Database	Details
Gly -2	-	expression tag
Ser -1	-	expression tag
Glu 0	-	expression tag
Phe 1	-	expression tag
Ala 353	Tyr 353	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	104284.1
Non-Polymers*	Number of molecules	17
	Total formula weight	1434.9
All*	Total formula weight	105719.0

*Water molecules are not included.