4F3C

Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with butyl-thio-DADMe-Immucillin-A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase	polymer	248	26324.1	2	UniProt (E8NLP5)	Salmonella enterica subsp. enterica serovar Choleraesuis	MTA/SAH nucleosidase, MTAN, 5'-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase
2	C, E (A, B)	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol	non-polymer		335.5	2	Chemie (BIG)
3	D, F, G (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
4	H, I (A, B)	water	water		18.0	161	Chemie (HOH)

Sequence modifications

A, B: 1 - 232 (UniProt: E8NLP5)

PDB	External Database	Details
Met -15	-	initiating methionine
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Gly -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	52648.1
Non-Polymers*	Number of molecules	5
	Total formula weight	857.1
All*	Total formula weight	53505.3

*Water molecules are not included.