9PHY

AshA from Amycolatopsis keratiniphila, an actinothioneine-biosynthetic sulfoxide synthase in complex with histidine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Sulfoxide synthase AshA	polymer	775	85941.0	1	UniProt (A0A1W2LU54)	Amycolatopsis keratiniphila	Sulfoxide synthase AshA
2	B (A)	FE (III) ION	non-polymer		55.8	1	Chemie (FE) PubChem (29936)
3	C, D (A)	HISTIDINE	non-polymer		156.2	2	Chemie (HIS)
4	E (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	F (A)	water	water		18.0	591	Chemie (HOH)

Sequence modifications

A: 21 - 775 (UniProt: A0A1W2LU54)

PDB	External Database	Details
Met 1	-	initiating methionine
Gly 2	-	expression tag
Ser 3	-	expression tag
Ser 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
Ser 11	-	expression tag
Ser 12	-	expression tag
Gly 13	-	expression tag
Leu 14	-	expression tag
Val 15	-	expression tag
Pro 16	-	expression tag
Arg 17	-	expression tag
Gly 18	-	expression tag
Ser 19	-	expression tag
His 20	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	85941.0
Non-Polymers*	Number of molecules	4
	Total formula weight	430.2
All*	Total formula weight	86371.3

*Water molecules are not included.