4WKP

Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with 2-(2-hydroxyethoxy)ethylthiomethyl-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, C, D (A, B, C, D)	Aminodeoxyfutalosine nucleosidase	polymer	245	26886.9	4	UniProt (Q9ZMY2) Pfam (PF01048)	Helicobacter pylori	Aminofutalosine nucleosidase,5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase,MTAN,6-amino-6-deoxyfutalosine N-ribosylhydrolase
2	E, G, I, J (A, B, C, D)	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol	non-polymer		381.5	4	Chemie (3QA)
3	F, H (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	K, L, M, N (A, B, C, D)	water	water		18.0	661	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 230 (UniProt: Q9ZMY2)

PDB	External Database	Details
Met -14	-	initiating methionine
Gly -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Val 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	107547.5
Non-Polymers*	Number of molecules	6
	Total formula weight	1718.1
All*	Total formula weight	109265.6

*Water molecules are not included.