8VII

EgtB-IV from Crocosphaera subtropica, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with cysteine and hercynine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Sulfoxide synthase EgtB-IV	polymer	468	54863.4	2	UniProt (B1WTS6) Pfam (PF03781) In PDB	Crocosphaera subtropica ATCC 51142
2	A, B	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
3	A, B	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
4	A, B	N,N,N-trimethyl-histidine	non-polymer		198.2	2	Chemie (AVJ)
5	A, B	CYSTEINE	non-polymer		121.2	2	Chemie (CYS)
6	A, B	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
7		water	water		18.0	997	Chemie (HOH)

Sequence modifications

A, B: 1 - 448 (UniProt: B1WTS6)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	109726.8
Non-Polymers*	Number of molecules	12
	Total formula weight	1042.9
All*	Total formula weight	110769.7

*Water molecules are not included.