6DYW

Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol

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	245	26886.9	2	UniProt (A0A1W0VQJ9) Pfam (PF01048) UniProt (by SIFTS) (Q9ZMY2) In PDB	Helicobacter pylori (Campylobacter pylori)
2	A, B	1,2-ETHANEDIOL	non-polymer		62.1	12	Chemie (EDO)
3	A, B	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol	non-polymer		478.6	2	Chemie (OS5)
4	B	AMMONIUM ION	non-polymer		18.0	1	Chemie (NH4)
5		water	water		18.0	481	Chemie (HOH)

Sequence modifications

A, B: 1 - 230 (UniProt: A0A1W0VQJ9)

PDB	External Database	Details
Met -14	-	expression tag
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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	53773.8
Non-Polymers*	Number of molecules	15
	Total formula weight	1720.1
All*	Total formula weight	55493.8

*Water molecules are not included.