8VIH

EgtB-IV from Crocosphaera subtropica, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with 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	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
3	A, B	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
4	A, B	FE (III) ION	non-polymer		55.8	2	Chemie (FE)
5	A, B	N,N,N-trimethyl-histidine	non-polymer		198.2	2	Chemie (AVJ)
6	A, B	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
7		water	water		18.0	854	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	13
	Total formula weight	935.4
All*	Total formula weight	110662.2

*Water molecules are not included.