4ZFL

Ergothioneine-biosynthetic Ntn hydrolase variant EgtC_C2A with natural substrate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E...	Amidohydrolase EgtC	polymer	234	25077.2	12	UniProt (A0R5M9) Pfam (PF13230) In PDB	Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155)
2	L, A, B, C, D...	(1S)-1-carboxy-4-({(1R)-1-carboxy-2-[(S)-{4-[(2S)-2-carboxy-2-(trimethylammonio)ethyl]-1H-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium	non-polymer		463.5	12	Chemie (4NK)
3	K, E, G, I	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
4		water	water		18.0	3083	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L: 2 - 227 (UniProt: A0R5M9)

PDB	External Database	Details
Ala 2	Cys 2	engineered mutation
Asp 53	Glu 53	engineered mutation
Val 84	Leu 84	engineered mutation
Leu 137	Val 137	engineered mutation
Arg 188	His 188	engineered mutation
Leu 228	-	expression tag
Glu 229	-	expression tag
His 230	-	expression tag
His 231	-	expression tag
His 232	-	expression tag
His 233	-	expression tag
His 234	-	expression tag
His 235	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	300926.3
Non-Polymers*	Number of molecules	16
	Total formula weight	5930.4
All*	Total formula weight	306856.7

*Water molecules are not included.