6H9A

Crystal structure of anaerobic ergothioneine biosynthesis enzyme from Chlorobium limicola in complex with natural substrate trimethyl histidine.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Sulfurtransferase	polymer	441	50026.6	1	UniProt (B3ECE3) Pfam (PF00581) In PDB	Chlorobium limicola
2	A	N,N,N-trimethyl-histidine	non-polymer		198.2	1	Chemie (AVJ)
3	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
4	A	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
5	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6		water	water		18.0	101	Chemie (HOH)

Sequence modifications

A: 35 - 457 (UniProt: B3ECE3)

PDB	External Database	Details
Met -18	-	initiating methionine
Gly -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ala -10	-	expression tag
Glu -9	-	expression tag
Asn -8	-	expression tag
Leu -7	-	expression tag
Tyr -6	-	expression tag
Phe -5	-	expression tag
Gln -4	-	expression tag
Gly -3	-	expression tag
His -2	-	expression tag
Met -1	-	expression tag
Ala 357	Lys 357	conflict
Ala 358	Lys 358	conflict
Ala 359	Lys 359	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	50026.6
Non-Polymers*	Number of molecules	6
	Total formula weight	423.7
All*	Total formula weight	50450.2

*Water molecules are not included.