6DYY

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-butyl-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, C, D	5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase	polymer	245	26886.9	4	UniProt (A0A1W0VQJ9) Pfam (PF01048) UniProt (by SIFTS) (Q9ZMY2) In PDB	Helicobacter pylori (Campylobacter pylori)
2	A, B, C, D	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
3	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	A, B, C, D	(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol	non-polymer		444.6	4	Chemie (OS6)
5		water	water		18.0	889	Chemie (HOH)

Sequence modifications

A, B, C, D: 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	4
	Total formula weight	107547.5
Non-Polymers*	Number of molecules	13
	Total formula weight	2261.5
All*	Total formula weight	109809.0

*Water molecules are not included.