4X24

Crystal structure of Vibrio cholerae 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-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	5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase	polymer	244	26165.8	2	UniProt (A5F5R2) Pfam (PF01048) In PDB	Vibrio cholerae serotype O1 (strain ATCC 39541 / Classical Ogawa 395 / O395)	MTAN,5'-methylthioadenosine nucleosidase,MTA nucleosidase,S-adenosylhomocysteine nucleosidase,SRH nucleosidase
2	A, B	(3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL	non-polymer		293.4	2	Chemie (TDI)
3	A	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
4		water	water		18.0	360	Chemie (HOH)

Sequence modifications

A, B: 1 - 231 (UniProt: A5F5R2)

PDB	External Database	Details
Pro 113	Ala 113	engineered mutation
Ile 153	Val 153	engineered mutation
Gly 158	Arg 158	engineered mutation
Glu 232	-	expression tag
Asn 233	-	expression tag
Leu 234	-	expression tag
Tyr 235	-	expression tag
Phe 236	-	expression tag
Gln 237	-	expression tag
Gly 238	-	expression tag
His 239	-	expression tag
His 240	-	expression tag
His 241	-	expression tag
His 242	-	expression tag
His 243	-	expression tag
His 244	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	52331.6
Non-Polymers*	Number of molecules	3
	Total formula weight	736.9
All*	Total formula weight	53068.6

*Water molecules are not included.