4WKC

Crystal structure of Escherichia coli 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with butylthio-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 (A)	5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase	polymer	245	26058.7	1	UniProt (A7ZHQ1) Pfam (PF01048)	Escherichia coli O139:H28	MTAN,5'-methylthioadenosine nucleosidase,MTA nucleosidase,S-adenosylhomocysteine nucleosidase,SRH nucleosidase
2	B (A)	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol	non-polymer		335.5	1	Chemie (BIG)
3	C (A)	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
4	D (A)	water	water		18.0	168	Chemie (HOH)

Sequence modifications

A: 1 - 232 (UniProt: A7ZHQ1)

PDB	External Database	Details
Glu 233	-	expression tag
Asn 234	-	expression tag
Leu 235	-	expression tag
Tyr 236	-	expression tag
Phe 237	-	expression tag
Gln 238	-	expression tag
Gly 239	-	expression tag
His 240	-	expression tag
His 241	-	expression tag
His 242	-	expression tag
His 243	-	expression tag
His 244	-	expression tag
His 245	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	26058.7
Non-Polymers*	Number of molecules	2
	Total formula weight	529.7
All*	Total formula weight	26588.4

*Water molecules are not included.